 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer05_STD_M11_augccpVDZ.in
 Output=31_naproxen_conformer05_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-20788.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     20814.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer05_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:17:52 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer05_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.727796000000     -0.617339000000      0.237443000000
  C                                                -1.047841000000      0.762202000000      0.064823000000
  C                                                 0.627887000000     -0.997107000000      0.390677000000
  C                                                 1.641753000000     -0.071739000000      0.382480000000
  C                                                 1.312923000000      1.298898000000      0.205310000000
  C                                                 0.016715000000      1.701054000000      0.052033000000
  C                                                -1.782544000000     -1.552555000000      0.250244000000
  H                                                 0.857810000000     -2.048331000000      0.527327000000
  H                                                 2.108133000000      2.033573000000      0.183762000000
  H                                                -0.215213000000      2.749911000000     -0.085402000000
  C                                                 3.088117000000     -0.486534000000      0.541414000000
  C                                                 3.760195000000      0.119636000000      1.772964000000
  C                                                 3.907138000000     -0.206580000000     -0.726372000000
  H                                                 3.106030000000     -1.577976000000      0.640536000000
  H                                                 4.789633000000     -0.224249000000      1.852177000000
  H                                                 3.214668000000     -0.166664000000      2.672170000000
  H                                                 3.778918000000      1.207660000000      1.714101000000
  O                                                 5.045903000000      0.164513000000     -0.727103000000
  O                                                 3.268617000000     -0.457965000000     -1.892789000000
  H                                                 2.337352000000     -0.661890000000     -1.716441000000
  C                                                -3.089131000000     -1.160241000000      0.100164000000
  C                                                -3.400222000000      0.208007000000     -0.071750000000
  C                                                -2.391569000000      1.146742000000     -0.088108000000
  O                                                -4.667929000000      0.674281000000     -0.226734000000
  C                                                -5.743851000000     -0.249462000000     -0.217471000000
  H                                                -1.551187000000     -2.602541000000      0.381883000000
  H                                                -3.872302000000     -1.903057000000      0.114825000000
  H                                                -2.648333000000      2.189617000000     -0.220665000000
  H                                                -5.805340000000     -0.783207000000      0.735107000000
  H                                                -5.658506000000     -0.971988000000     -1.034008000000
  H                                                -6.645040000000      0.342621000000     -0.355471000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:17:52 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426660   0.000000
     3  C    1.416185   2.451410   0.000000
     4  C    2.435873   2.833775   1.372697   0.000000
     5  C    2.799559   2.425074   2.403180   1.420621   0.000000
     6  C    2.442052   1.419467   2.787164   2.427496   1.365789
     7  C    1.409711   2.435625   2.477584   3.733110   4.208886
     8  H    2.155439   3.427027   1.084716   2.131306   3.393341
     9  H    3.882359   3.404512   3.379196   2.165488   1.082853
    10  H    3.421307   2.160283   3.870092   3.410124   2.127240
    11  C    3.830235   4.346565   2.517169   1.513038   2.540088
    12  C    4.800315   5.142747   3.601276   2.541233   3.136453
    13  C    4.751871   5.110415   3.553339   2.525808   3.140772
    14  H    3.972849   4.802346   2.557544   2.116471   3.417756
    15  H    5.762283   6.184159   4.478105   3.477415   4.137591
    16  H    4.655537   5.082326   3.547715   2.779524   3.442369
    17  H    5.081497   5.120171   4.067118   2.824456   2.892388
    18  O    5.905696   6.173985   4.702941   3.588207   4.011404
    19  O    4.531512   4.894166   3.532470   2.823598   3.363529
    20  H    3.635214   4.081724   2.733969   2.288582   2.930405
    21  C    2.426827   2.804265   3.731921   4.862695   5.043461
    22  C    2.814011   2.420636   4.229870   5.070118   4.845672
    23  C    2.446652   1.406010   3.733957   4.239556   3.719208
    24  O    4.172336   3.632874   5.587522   6.382772   6.028880
    25  C    5.050058   4.812033   6.444212   7.412063   7.237004
    26  H    2.154034   3.416925   2.706632   4.074288   4.843091
    27  H    3.399415   3.883772   4.598754   5.816371   6.094855
    28  H    3.431811   2.163467   4.611135   4.886957   4.082448
    29  H    5.104570   5.046917   6.445991   7.489307   7.435423
    30  H    5.104338   5.047086   6.445859   7.490705   7.435970
    31  H    6.023856   5.628617   7.432838   8.329898   8.034807
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723250   0.000000
     8  H    3.871851   2.700748   0.000000
     9  H    2.121780   5.291701   4.282906   0.000000
    10  H    1.082950   4.591339   4.954790   2.446125   0.000000
    11  C    3.802439   4.994449   2.722807   2.727494   4.666847
    12  C    4.413177   5.986389   3.830866   2.986307   5.116223
    13  C    4.402314   5.927724   3.776534   3.013810   5.113263
    14  H    4.543373   4.904195   2.299683   3.774616   5.503476
    15  H    5.452344   6.893772   4.532299   3.882243   6.135823
    16  H    4.536562   5.723508   3.700784   3.501091   5.279649
    17  H    4.142473   6.378991   4.532415   2.411554   4.644333
    18  O    5.316083   7.108531   4.900040   3.599104   5.897067
    19  O    4.361028   5.595082   3.768052   3.444786   5.068943
    20  H    3.754512   4.651309   3.024195   3.305879   4.562484
    21  C    4.223222   1.372444   4.068110   6.100737   4.856246
    22  C    3.730948   2.412497   4.856006   5.808610   4.075015
    23  C    2.475224   2.787759   4.598447   4.594312   2.703088
    24  O    4.803942   3.675834   6.206047   6.923236   4.914763
    25  C    6.087796   4.196280   6.882774   8.186995   6.291226
    26  H    4.592172   1.083201   2.476201   5.909605   5.536418
    27  H    5.302642   2.123271   4.750287   7.160126   5.921529
    28  H    2.723149   3.869780   5.550922   4.776178   2.500460
    29  H    6.366668   4.124303   6.785372   8.417915   6.663759
    30  H    6.366535   4.124251   6.786653   8.416474   6.661968
    31  H    6.811048   5.253803   7.923935   8.931300   6.871001
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528348   0.000000
    13  C    1.535074   2.524815   0.000000
    14  H    1.096080   2.142945   2.095457   0.000000
    15  H    2.163804   1.088244   2.725440   2.476927   0.000000
    16  H    2.158345   1.090018   3.468601   2.476114   1.776575
    17  H    2.173176   1.089776   2.823548   3.060243   1.758116
    18  O    2.421967   2.811653   1.197705   2.944454   2.620972
    19  O    2.441053   3.743396   1.353304   2.774634   4.048813
    20  H    2.385856   3.848534   1.910961   2.642995   4.352039
    21  C    6.229525   7.165864   7.109178   6.232698   8.125303
    22  C    6.554151   7.394752   7.348328   6.784423   8.423898
    23  C    5.752464   6.508666   6.473992   6.178884   7.563993
    24  O    7.879961   8.679844   8.634659   8.139979   9.724953
    25  C    8.867681   9.717250   9.664492   8.990079  10.734913
    26  H    5.101576   6.128306   6.063182   4.775595   6.929938
    27  H    7.115894   8.068192   8.006581   7.005653   8.992547
    28  H    6.375689   7.023433   6.997978   6.931747   8.089917
    29  H    8.900512   9.663940   9.838732   8.947241  10.668352
    30  H    8.900620   9.888512   9.601148   8.943624  10.865210
    31  H    9.809498  10.623035  10.572968   9.988197  11.659623
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767778   0.000000
    18  O    3.875327   2.941578   0.000000
    19  O    4.574562   4.005542   2.214734   0.000000
    20  H    4.502759   4.164366   2.999663   0.969504   0.000000
    21  C    6.880428   7.441898   8.283606   6.699702   5.744138
    22  C    7.171209   7.465160   8.471624   6.945007   6.031707
    23  C    6.385457   6.428575   7.529215   6.153833   5.318394
    24  O    8.440745   8.683349   9.740060   8.188192   7.285502
    25  C    9.413392   9.825340  10.809713   9.169228   8.229389
    26  H    5.821708   6.685990   7.239339   5.744898   4.825953
    27  H    7.731767   8.412812   9.193371   7.557217   6.591952
    28  H    6.949485   6.783592   7.972377   6.694474   5.935107
    29  H    9.246236   9.837682  10.990255   9.452424   8.504601
    30  H    9.649742  10.068165  10.768946   8.983053   8.030917
    31  H   10.326656  10.662566  11.698204  10.064039   9.140276
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413660   0.000000
    23  C    2.417480   1.377996   0.000000
    24  O    2.442322   1.359600   2.329002   0.000000
    25  C    2.824526   2.392302   3.633719   1.418096   0.000000
    26  H    2.127173   3.394686   3.870950   4.563119   4.845063
    27  H    1.079513   2.171235   3.396325   2.718889   2.519423
    28  H    3.393933   2.124686   1.082168   2.524886   3.940983
    29  H    2.814800   2.723622   4.007021   2.084014   1.093650
    30  H    2.814866   2.723633   4.007071   2.084019   1.093645
    31  H    3.887247   3.259979   4.337062   2.008865   1.087082
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438888   0.000000
    28  H    4.952936   4.284931   0.000000
    29  H    4.640319   2.318502   4.440481   0.000000
    30  H    4.640422   2.318886   4.440542   1.785208   0.000000
    31  H    5.930009   3.598934   4.404910   1.778186   1.778162
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.46D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5217567           0.1966021           0.1926148
 Leave Link  202 at Thu Aug 12 21:17:53 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1131.8048366253 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:17:55 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.09D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  9.08D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 21:17:57 2021, MaxMem=  5368709120 cpu:               8.9 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:17:57 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer05_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:17:59 2021, MaxMem=  5368709120 cpu:              11.1 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.254545089005    
 DIIS: error= 3.21D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.254545089005     IErMin= 1 ErrMin= 3.21D-03
 ErrMax= 3.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-02 BMatP= 2.15D-02
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.21D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.314 Goal=   None    Shift=    0.000
 GapD=    0.314 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.51D-02 MaxDP=8.48D+00              OVMax= 1.92D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.32D-02    CP:  1.71D+00
 E= -767.274840193355     Delta-E=       -0.020295104350 Rises=F Damp=F
 DIIS: error= 6.50D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.274840193355     IErMin= 2 ErrMin= 6.50D-04
 ErrMax= 6.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.98D-04 BMatP= 2.15D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.50D-03
 Coeff-Com:  0.511D-02 0.995D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.507D-02 0.995D+00
 Gap=     0.291 Goal=   None    Shift=    0.000
 RMSDP=1.74D-02 MaxDP=1.61D+00 DE=-2.03D-02 OVMax= 9.46D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.02D-03    CP:  1.84D+00  1.18D+00
 E= -767.275332583748     Delta-E=       -0.000492390393 Rises=F Damp=F
 DIIS: error= 6.37D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.275332583748     IErMin= 3 ErrMin= 6.37D-04
 ErrMax= 6.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.36D-04 BMatP= 9.98D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.37D-03
 Coeff-Com: -0.469D-01 0.510D+00 0.537D+00
 Coeff-En:   0.000D+00 0.251D+00 0.749D+00
 Coeff:     -0.466D-01 0.508D+00 0.539D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=1.95D-03 MaxDP=1.88D-01 DE=-4.92D-04 OVMax= 3.89D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.76D-04    CP:  1.85D+00  1.20D+00  1.13D+00
 E= -767.275958764245     Delta-E=       -0.000626180498 Rises=F Damp=F
 DIIS: error= 1.13D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.275958764245     IErMin= 4 ErrMin= 1.13D-04
 ErrMax= 1.13D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.70D-05 BMatP= 9.36D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.13D-03
 Coeff-Com: -0.731D-02 0.399D-02 0.912D-01 0.912D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.730D-02 0.399D-02 0.911D-01 0.912D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=4.52D-04 MaxDP=3.51D-02 DE=-6.26D-04 OVMax= 1.54D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.24D-04    CP:  1.85D+00  1.20D+00  1.20D+00  1.53D+00
 E= -767.275980831775     Delta-E=       -0.000022067529 Rises=F Damp=F
 DIIS: error= 4.64D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.275980831775     IErMin= 5 ErrMin= 4.64D-05
 ErrMax= 4.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.40D-06 BMatP= 1.70D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.154D-02-0.490D-01-0.192D-01 0.409D+00 0.658D+00
 Coeff:      0.154D-02-0.490D-01-0.192D-01 0.409D+00 0.658D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=9.57D-05 MaxDP=6.80D-03 DE=-2.21D-05 OVMax= 6.15D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.51D-05    CP:  1.85D+00  1.20D+00  1.21D+00  1.66D+00  1.21D+00
 E= -767.275986513552     Delta-E=       -0.000005681777 Rises=F Damp=F
 DIIS: error= 2.11D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.275986513552     IErMin= 6 ErrMin= 2.11D-05
 ErrMax= 2.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.67D-07 BMatP= 5.40D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.175D-02-0.207D-01-0.238D-01 0.334D-01 0.263D+00 0.746D+00
 Coeff:      0.175D-02-0.207D-01-0.238D-01 0.334D-01 0.263D+00 0.746D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=6.47D-05 MaxDP=5.55D-03 DE=-5.68D-06 OVMax= 3.77D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.69D-05    CP:  1.85D+00  1.20D+00  1.21D+00  1.69D+00  1.30D+00
                    CP:  1.40D+00
 E= -767.275987490271     Delta-E=       -0.000000976719 Rises=F Damp=F
 DIIS: error= 1.15D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.275987490271     IErMin= 7 ErrMin= 1.15D-05
 ErrMax= 1.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.13D-08 BMatP= 6.67D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.300D-03 0.174D-02-0.442D-02-0.581D-01-0.260D-01 0.230D+00
 Coeff-Com:  0.857D+00
 Coeff:      0.300D-03 0.174D-02-0.442D-02-0.581D-01-0.260D-01 0.230D+00
 Coeff:      0.857D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=3.74D-05 MaxDP=3.19D-03 DE=-9.77D-07 OVMax= 2.21D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.53D-06    CP:  1.85D+00  1.20D+00  1.20D+00  1.70D+00  1.34D+00
                    CP:  1.56D+00  1.58D+00
 E= -767.275987700871     Delta-E=       -0.000000210600 Rises=F Damp=F
 DIIS: error= 4.68D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.275987700871     IErMin= 8 ErrMin= 4.68D-06
 ErrMax= 4.68D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-08 BMatP= 8.13D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.203D-03 0.361D-02 0.287D-02-0.192D-01-0.464D-01-0.643D-01
 Coeff-Com:  0.201D+00 0.922D+00
 Coeff:     -0.203D-03 0.361D-02 0.287D-02-0.192D-01-0.464D-01-0.643D-01
 Coeff:      0.201D+00 0.922D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=1.17D-05 MaxDP=8.76D-04 DE=-2.11D-07 OVMax= 1.05D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.75D-06    CP:  1.85D+00  1.20D+00  1.20D+00  1.70D+00  1.34D+00
                    CP:  1.65D+00  1.77D+00  1.49D+00
 E= -767.275987736332     Delta-E=       -0.000000035461 Rises=F Damp=F
 DIIS: error= 1.58D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.275987736332     IErMin= 9 ErrMin= 1.58D-06
 ErrMax= 1.58D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.54D-09 BMatP= 1.15D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.110D-03 0.104D-02 0.175D-02 0.961D-03-0.138D-01-0.583D-01
 Coeff-Com: -0.478D-01 0.368D+00 0.748D+00
 Coeff:     -0.110D-03 0.104D-02 0.175D-02 0.961D-03-0.138D-01-0.583D-01
 Coeff:     -0.478D-01 0.368D+00 0.748D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=3.36D-06 MaxDP=2.53D-04 DE=-3.55D-08 OVMax= 3.69D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.20D-06    CP:  1.85D+00  1.20D+00  1.20D+00  1.69D+00  1.34D+00
                    CP:  1.67D+00  1.84D+00  1.66D+00  1.31D+00
 E= -767.275987741547     Delta-E=       -0.000000005215 Rises=F Damp=F
 DIIS: error= 5.28D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.275987741547     IErMin=10 ErrMin= 5.28D-07
 ErrMax= 5.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-10 BMatP= 2.54D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.447D-05-0.328D-03-0.119D-04 0.343D-02 0.443D-02-0.212D-02
 Coeff-Com: -0.440D-01-0.776D-01 0.156D+00 0.961D+00
 Coeff:      0.447D-05-0.328D-03-0.119D-04 0.343D-02 0.443D-02-0.212D-02
 Coeff:     -0.440D-01-0.776D-01 0.156D+00 0.961D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=2.56D-06 MaxDP=2.65D-04 DE=-5.22D-09 OVMax= 1.68D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.71D-07    CP:  1.85D+00  1.20D+00  1.20D+00  1.69D+00  1.34D+00
                    CP:  1.67D+00  1.86D+00  1.74D+00  1.45D+00  1.45D+00
 E= -767.275987741882     Delta-E=       -0.000000000335 Rises=F Damp=F
 DIIS: error= 2.10D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.275987741882     IErMin=11 ErrMin= 2.10D-07
 ErrMax= 2.10D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.84D-11 BMatP= 2.38D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.137D-04-0.232D-03-0.198D-03 0.113D-02 0.303D-02 0.568D-02
 Coeff-Com: -0.104D-01-0.660D-01-0.289D-01 0.332D+00 0.764D+00
 Coeff:      0.137D-04-0.232D-03-0.198D-03 0.113D-02 0.303D-02 0.568D-02
 Coeff:     -0.104D-01-0.660D-01-0.289D-01 0.332D+00 0.764D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=5.01D-07 MaxDP=5.51D-05 DE=-3.35D-10 OVMax= 4.18D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.17D-07    CP:  1.85D+00  1.20D+00  1.20D+00  1.69D+00  1.34D+00
                    CP:  1.67D+00  1.86D+00  1.76D+00  1.51D+00  1.54D+00
                    CP:  1.28D+00
 E= -767.275987742296     Delta-E=       -0.000000000414 Rises=F Damp=F
 DIIS: error= 9.20D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -767.275987742296     IErMin=12 ErrMin= 9.20D-08
 ErrMax= 9.20D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.09D-12 BMatP= 3.84D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.285D-05-0.889D-05-0.544D-04-0.259D-03 0.684D-04 0.206D-02
 Coeff-Com:  0.426D-02-0.523D-02-0.341D-01-0.567D-01 0.200D+00 0.890D+00
 Coeff:      0.285D-05-0.889D-05-0.544D-04-0.259D-03 0.684D-04 0.206D-02
 Coeff:      0.426D-02-0.523D-02-0.341D-01-0.567D-01 0.200D+00 0.890D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=2.58D-07 MaxDP=2.52D-05 DE=-4.14D-10 OVMax= 2.56D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.08D-07    CP:  1.85D+00  1.20D+00  1.20D+00  1.69D+00  1.34D+00
                    CP:  1.67D+00  1.86D+00  1.76D+00  1.52D+00  1.57D+00
                    CP:  1.43D+00  1.48D+00
 E= -767.275987742226     Delta-E=        0.000000000070 Rises=F Damp=F
 DIIS: error= 7.75D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -767.275987742296     IErMin=13 ErrMin= 7.75D-08
 ErrMax= 7.75D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-12 BMatP= 5.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-05 0.311D-04 0.130D-04-0.234D-03-0.428D-03-0.201D-03
 Coeff-Com:  0.249D-02 0.819D-02-0.530D-02-0.610D-01-0.693D-01 0.225D+00
 Coeff-Com:  0.900D+00
 Coeff:     -0.117D-05 0.311D-04 0.130D-04-0.234D-03-0.428D-03-0.201D-03
 Coeff:      0.249D-02 0.819D-02-0.530D-02-0.610D-01-0.693D-01 0.225D+00
 Coeff:      0.900D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=1.30D-07 MaxDP=1.14D-05 DE= 7.00D-11 OVMax= 1.58D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.48D-08    CP:  1.85D+00  1.20D+00  1.20D+00  1.69D+00  1.34D+00
                    CP:  1.67D+00  1.86D+00  1.76D+00  1.52D+00  1.56D+00
                    CP:  1.50D+00  1.72D+00  1.38D+00
 E= -767.275987742277     Delta-E=       -0.000000000050 Rises=F Damp=F
 DIIS: error= 2.24D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -767.275987742296     IErMin=14 ErrMin= 2.24D-08
 ErrMax= 2.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-13 BMatP= 1.06D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-05 0.106D-04 0.175D-04-0.290D-06-0.137D-03-0.549D-03
 Coeff-Com: -0.407D-03 0.344D-02 0.716D-02-0.118D-02-0.701D-01-0.161D+00
 Coeff-Com:  0.263D+00 0.960D+00
 Coeff:     -0.103D-05 0.106D-04 0.175D-04-0.290D-06-0.137D-03-0.549D-03
 Coeff:     -0.407D-03 0.344D-02 0.716D-02-0.118D-02-0.701D-01-0.161D+00
 Coeff:      0.263D+00 0.960D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=6.49D-08 MaxDP=4.17D-06 DE=-5.05D-11 OVMax= 9.83D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  2.78D-08    CP:  1.85D+00  1.20D+00  1.20D+00  1.69D+00  1.34D+00
                    CP:  1.67D+00  1.86D+00  1.76D+00  1.52D+00  1.55D+00
                    CP:  1.52D+00  1.84D+00  1.60D+00  1.67D+00
 E= -767.275987742130     Delta-E=        0.000000000147 Rises=F Damp=F
 DIIS: error= 1.61D-08 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=12 EnMin= -767.275987742296     IErMin=15 ErrMin= 1.61D-08
 ErrMax= 1.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-14 BMatP= 2.74D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.135D-06-0.628D-05 0.911D-07 0.604D-04 0.859D-04-0.617D-04
 Coeff-Com: -0.725D-03-0.153D-02 0.297D-02 0.160D-01 0.255D-02-0.935D-01
 Coeff-Com: -0.182D+00 0.206D+00 0.105D+01
 Coeff:      0.135D-06-0.628D-05 0.911D-07 0.604D-04 0.859D-04-0.617D-04
 Coeff:     -0.725D-03-0.153D-02 0.297D-02 0.160D-01 0.255D-02-0.935D-01
 Coeff:     -0.182D+00 0.206D+00 0.105D+01
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=3.38D-08 MaxDP=1.64D-06 DE= 1.47D-10 OVMax= 5.84D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  1.13D-08    CP:  1.85D+00  1.20D+00  1.20D+00  1.69D+00  1.34D+00
                    CP:  1.67D+00  1.86D+00  1.76D+00  1.52D+00  1.55D+00
                    CP:  1.52D+00  1.88D+00  1.70D+00  2.09D+00  1.42D+00
 E= -767.275987742362     Delta-E=       -0.000000000232 Rises=F Damp=F
 DIIS: error= 2.32D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -767.275987742362     IErMin=16 ErrMin= 2.32D-09
 ErrMax= 2.32D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.14D-15 BMatP= 5.04D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.186D-06-0.326D-05-0.256D-05 0.175D-04 0.465D-04 0.619D-04
 Coeff-Com: -0.139D-03-0.959D-03-0.979D-04 0.465D-02 0.104D-01-0.231D-02
 Coeff-Com: -0.847D-01-0.806D-01 0.266D+00 0.887D+00
 Coeff:      0.186D-06-0.326D-05-0.256D-05 0.175D-04 0.465D-04 0.619D-04
 Coeff:     -0.139D-03-0.959D-03-0.979D-04 0.465D-02 0.104D-01-0.231D-02
 Coeff:     -0.847D-01-0.806D-01 0.266D+00 0.887D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=1.34D-08 MaxDP=1.27D-06 DE=-2.32D-10 OVMax= 1.35D-07

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  3.74D-09    CP:  1.85D+00  1.20D+00  1.20D+00  1.69D+00  1.34D+00
                    CP:  1.67D+00  1.86D+00  1.76D+00  1.52D+00  1.55D+00
                    CP:  1.52D+00  1.87D+00  1.70D+00  2.21D+00  1.59D+00
                    CP:  1.35D+00
 E= -767.275987742070     Delta-E=        0.000000000292 Rises=F Damp=F
 DIIS: error= 6.89D-10 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=16 EnMin= -767.275987742362     IErMin=17 ErrMin= 6.89D-10
 ErrMax= 6.89D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.21D-16 BMatP= 6.14D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 17 BigCof=    0.00 CofMax=   10.00 Det=-3.81D-15
 Inversion failed.  Reducing to 16 matrices.
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-4.08D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.510D-06-0.234D-05 0.143D-05 0.166D-04 0.445D-04-0.418D-04
 Coeff-Com: -0.284D-03-0.784D-03 0.169D-02 0.980D-02 0.335D-02-0.388D-01
 Coeff-Com: -0.592D-01 0.191D+00 0.894D+00
 Coeff:     -0.510D-06-0.234D-05 0.143D-05 0.166D-04 0.445D-04-0.418D-04
 Coeff:     -0.284D-03-0.784D-03 0.169D-02 0.980D-02 0.335D-02-0.388D-01
 Coeff:     -0.592D-01 0.191D+00 0.894D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=2.65D-09 MaxDP=2.71D-07 DE= 2.92D-10 OVMax= 3.07D-08

 SCF Done:  E(RM11) =  -767.275987742     A.U. after   17 cycles
            NFock= 17  Conv=0.27D-08     -V/T= 2.0063
 KE= 7.624626695796D+02 PE=-4.050263099620D+03 EE= 1.388719605673D+03
 Leave Link  502 at Thu Aug 12 21:50:16 2021, MaxMem=  5368709120 cpu:           15475.6 elap:            1936.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.10735094D+03

 Leave Link  801 at Thu Aug 12 21:50:16 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 3.38D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 2.02D-01 6.71D-02.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 4.78D-02 8.90D-02.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 6.89D-03 2.69D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 1.41D-03 7.80D-03.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 2.01D-04 2.48D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 1.71D-05 7.74D-04.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 8.80D-07 1.35D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 4.56D-08 2.54D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 1.47D-09 3.76D-06.
     11 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 4.95D-11 6.84D-07.
      8 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 2.19D-12 1.80D-07.
      6 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 1.63D-13 3.73D-08.
      2 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 3.62D-14 9.65D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 7.82D-14
 Solved reduced A of dimension   137 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.308823D+03
      2  0.145352D+02  0.169810D+03
      3  0.116367D+02 -0.373733D+01  0.122765D+03
 Isotropic polarizability for W=    0.088559      200.47 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.342219D+03 -0.899043D+01 -0.486871D+02
      2   0.140175D+03  0.148197D+02 -0.710824D+01
      3   0.202044D+03 -0.582923D+01  0.557953D+02
      4  -0.168474D+02 -0.145044D+03  0.215850D+02
      5   0.328324D+02  0.204291D+02  0.592501D+02
      6   0.482996D+01  0.467105D+02 -0.242925D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.811654D+01  0.277893D+02  0.679382D+01
      2  -0.471252D+02  0.981837D+01  0.244587D+02
      3   0.933820D+01  0.603225D+02 -0.704311D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.115598D+01  0.538188D+02  0.184633D+02
      2  -0.815195D+02  0.167551D+02 -0.142794D+03
      3  -0.785700D+01  0.285219D+03 -0.155991D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.109864D+01  0.137139D+01 -0.270722D+01
      2   0.137139D+01 -0.339106D+01 -0.339220D+01
      3  -0.270722D+01 -0.339220D+01 -0.304886D+01
 OR G Eigenvalues:    -6.7315    -2.2338     3.6240  Iso=     1.7804
 Eigenvectors:
   (1)   0.130594   0.679520   0.721940
   (2)   0.633213  -0.617477   0.466651
   (3)   0.762880   0.396200  -0.510920
 w=    0.088559 a.u., Optical Rotation Beta=      1.7804 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      392.08 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 8.97D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.05D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 3.08D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 4.05D-02 3.91D-02.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 8.67D-03 1.20D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 1.89D-04 1.58D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 4.88D-06 2.52D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 1.45D-07 2.97D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 3.27D-09 4.99D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 5.53D-11 5.54D-07.
     30 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 7.07D-13 6.79D-08.
     14 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 4.23D-14 1.59D-08.
      4 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 1.72D-14 6.91D-09.
      4 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 5.56D-14 1.41D-08.
      4 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 3.34D-14 1.47D-08.
      4 vectors produced by pass 13 Test12= 7.68D-14 2.78D-09 XBig12= 5.27D-14 1.37D-08.
      4 vectors produced by pass 14 Test12= 7.68D-14 2.78D-09 XBig12= 5.74D-14 1.23D-08.
      4 vectors produced by pass 15 Test12= 7.68D-14 2.78D-09 XBig12= 5.00D-14 1.03D-08.
      4 vectors produced by pass 16 Test12= 7.68D-14 2.78D-09 XBig12= 5.22D-14 1.57D-08.
      4 vectors produced by pass 17 Test12= 7.68D-14 2.78D-09 XBig12= 3.53D-14 9.48D-09.
      4 vectors produced by pass 18 Test12= 7.68D-14 2.78D-09 XBig12= 4.42D-14 1.17D-08.
      3 vectors produced by pass 19 Test12= 7.68D-14 2.78D-09 XBig12= 3.36D-14 9.13D-09.
      2 vectors produced by pass 20 Test12= 7.68D-14 2.78D-09 XBig12= 5.73D-15 5.37D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   325 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.41D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.41D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.19D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.308823D+03  0.145352D+02  0.116367D+02
      2   0.145352D+02  0.169810D+03 -0.373733D+01
      3   0.116367D+02 -0.373733D+01  0.122765D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.811654D+01  0.277893D+02  0.679382D+01
      2  -0.471252D+02  0.981837D+01  0.244587D+02
      3   0.933820D+01  0.603225D+02 -0.704311D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.342219D+03 -0.899043D+01 -0.486871D+02
      2   0.140175D+03  0.148197D+02 -0.710824D+01
      3   0.202044D+03 -0.582923D+01  0.557953D+02
      4  -0.168474D+02 -0.145044D+03  0.215850D+02
      5   0.328324D+02  0.204291D+02  0.592501D+02
      6   0.482996D+01  0.467105D+02 -0.242925D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.380573D+02  0.758812D+01  0.166602D+01 -0.490790D+02 -0.511799D+01
      2   0.758812D+01  0.347148D+01  0.282139D+00 -0.511799D+01 -0.564335D+01
      3   0.166602D+01  0.282139D+00 -0.288953D+00 -0.281763D+01  0.170654D+00
                 6             7             8             9            10 
      1  -0.281763D+01  0.791256D+01  0.130329D+01  0.175039D+01 -0.293604D+02
      2   0.170654D+00  0.130329D+01  0.687617D+00 -0.106283D+01 -0.539389D+01
      3   0.118896D+00  0.175039D+01 -0.106283D+01  0.342530D+00 -0.123897D+01
                11            12            13            14            15 
      1  -0.539389D+01 -0.123897D+01  0.531617D+02  0.624731D+01  0.316055D+01
      2  -0.590426D+00 -0.223087D+00  0.624731D+01  0.667602D+01 -0.104590D+00
      3  -0.223087D+00 -0.231129D-01  0.316055D+01 -0.104590D+00 -0.318764D+00
                16            17            18            19            20 
      1  -0.801320D+01 -0.122669D+01 -0.862016D+00 -0.501930D+02 -0.990725D+01
      2  -0.122669D+01 -0.599637D+00  0.991294D+00 -0.990725D+01 -0.944164D+01
      3  -0.862016D+00  0.991294D+00 -0.119991D+00 -0.172015D+01  0.434098D+00
                21            22            23            24            25 
      1  -0.172015D+01 -0.144105D+02 -0.191785D+01  0.133199D+00 -0.241812D+01
      2   0.434098D+00 -0.191785D+01 -0.439739D+01 -0.556414D+00  0.272570D+00
      3  -0.578437D+00  0.133199D+00 -0.556414D+00 -0.221072D+01  0.629616D+00
                26            27            28            29            30 
      1   0.272570D+00  0.629616D+00  0.477257D+02  0.410958D+01  0.144571D+01
      2  -0.111658D+01 -0.363156D+01  0.410958D+01  0.576767D+01 -0.230093D-01
      3  -0.363156D+01  0.117547D+01  0.144571D+01 -0.230093D-01  0.235252D+01
                31            32            33            34            35 
      1   0.367675D+01  0.355207D+01  0.583087D+00  0.103132D+01  0.591600D+00
      2   0.355207D+01  0.143883D+02 -0.739137D+00  0.591600D+00 -0.328486D+00
      3   0.583087D+00 -0.739137D+00  0.420756D+00  0.600141D+01  0.697138D+00
                36            37            38            39            40 
      1   0.600141D+01  0.103268D+02 -0.137520D+01  0.395206D+00  0.590814D+01
      2   0.697138D+00 -0.137520D+01  0.118065D+02 -0.872428D+00  0.676944D+00
      3   0.738202D+00  0.395206D+00 -0.872428D+00  0.256845D+01  0.479775D+00
                41            42            43            44            45 
      1   0.676944D+00  0.479775D+00  0.252403D+00  0.222918D+00  0.455527D+01
      2  -0.922481D+01  0.112410D+01  0.222918D+00  0.237425D+01  0.156766D+01
      3   0.112410D+01  0.783130D+00  0.455527D+01  0.156766D+01  0.692490D+00
                46            47            48            49            50 
      1  -0.150864D+02  0.207524D+01 -0.135938D+01  0.135791D+01  0.220307D+01
      2   0.207524D+01 -0.852284D+01  0.107380D+00  0.220307D+01  0.457552D+00
      3  -0.135938D+01  0.107380D+00 -0.170959D+01 -0.350419D+00  0.861320D+00
                51            52            53            54            55 
      1  -0.350419D+00 -0.129362D+01 -0.654322D+00 -0.891820D+00  0.438509D+01
      2   0.861320D+00 -0.654322D+00  0.189355D+00  0.428018D+01 -0.329201D+01
      3   0.187931D+01 -0.891820D+00  0.428018D+01 -0.125163D+01  0.579551D+00
                56            57            58            59            60 
      1  -0.329201D+01  0.579551D+00 -0.281789D+01 -0.365518D+01  0.380885D+00
      2   0.604276D+01 -0.420788D+00 -0.365518D+01 -0.212170D+01 -0.693583D+00
      3  -0.420788D+00  0.220314D+01  0.380885D+00 -0.693583D+00 -0.175285D+01
                61            62            63            64            65 
      1   0.718149D+00  0.491503D+00 -0.124811D+00  0.517673D+00 -0.202455D+01
      2   0.491503D+00 -0.140725D+00 -0.408059D+01 -0.202455D+01  0.100209D+01
      3  -0.124811D+00 -0.408059D+01  0.141410D+01  0.296641D+00 -0.283448D+00
                66            67            68            69            70 
      1   0.296641D+00 -0.208482D+01  0.265897D+01 -0.446343D+00  0.419280D+00
      2  -0.283448D+00  0.265897D+01 -0.775211D+01  0.108812D+01 -0.556845D+00
      3   0.170758D+00 -0.446343D+00  0.108812D+01 -0.944860D+00  0.307397D-01
                71            72            73            74            75 
      1  -0.556845D+00  0.307397D-01  0.735616D+01  0.315203D+01  0.367418D+00
      2   0.996147D+00 -0.258448D+00  0.315203D+01  0.275399D+01 -0.249958D-01
      3  -0.258448D+00  0.208335D+00  0.367418D+00 -0.249958D-01  0.644328D+00
                76            77            78            79            80 
      1   0.417327D+01  0.413118D+01 -0.148352D+00  0.370515D+00 -0.341436D+00
      2   0.413118D+01  0.421318D+01  0.106480D-01 -0.341436D+00 -0.219481D+00
      3  -0.148352D+00  0.106480D-01  0.607395D+00 -0.227128D+00  0.329621D+00
                81            82            83            84            85 
      1  -0.227128D+00 -0.755828D+00  0.137847D+01 -0.210119D+00  0.533391D+00
      2   0.329621D+00  0.137847D+01 -0.157862D+01  0.277785D+00 -0.715216D+00
      3  -0.129300D+00 -0.210119D+00  0.277785D+00 -0.166733D+00  0.581521D-01
                86            87            88            89            90 
      1  -0.715216D+00  0.581521D-01 -0.230151D+00  0.252097D+00  0.112759D+00
      2   0.107683D+02 -0.104974D+01  0.252097D+00 -0.129864D+01  0.239253D+00
      3  -0.104974D+01  0.975575D+00  0.112759D+00  0.239253D+00 -0.146333D+00
                91            92            93            94            95 
      1  -0.162130D+02 -0.192606D+01  0.929277D-01 -0.771314D+00 -0.316707D+00
      2  -0.192606D+01  0.431709D+00 -0.584223D+00 -0.316707D+00  0.514367D+01
      3   0.929277D-01 -0.584223D+00 -0.369022D+01 -0.198462D+01 -0.820207D+00
                96            97            98            99           100 
      1  -0.198462D+01 -0.114897D+00 -0.138965D+01 -0.766390D+01 -0.599344D+01
      2  -0.820207D+00 -0.138965D+01 -0.558169D+00 -0.101184D+01  0.291907D+01
      3  -0.108119D+01 -0.766390D+01 -0.101184D+01  0.482297D+00 -0.148608D+01
               101           102           103           104           105 
      1   0.291907D+01 -0.148608D+01  0.732066D+01 -0.144949D+00  0.171369D+01
      2  -0.570264D+00  0.314353D+00 -0.144949D+00 -0.490124D+01 -0.485735D-01
      3   0.314353D+00  0.389175D+01  0.171369D+01 -0.485735D-01  0.283448D+01
               106           107           108           109           110 
      1   0.417452D+01  0.106841D+01  0.550791D+01 -0.574725D+01 -0.142565D+01
      2   0.106841D+01  0.535632D+00  0.209078D+01 -0.142565D+01 -0.165090D+00
      3   0.550791D+01  0.209078D+01 -0.662934D+00  0.163662D-01  0.422131D+00
               111           112           113           114           115 
      1   0.163662D-01 -0.163731D+01 -0.103129D+00  0.112016D+01 -0.693877D+01
      2   0.422131D+00 -0.103129D+00 -0.905371D+00 -0.137794D+00  0.517966D+00
      3   0.160674D+01  0.112016D+01 -0.137794D+00  0.681050D+00  0.412250D+01
               116           117           118           119           120 
      1   0.517966D+00  0.412250D+01 -0.154623D+01 -0.111225D+01  0.667067D-01
      2  -0.106267D+01  0.288528D+00 -0.111225D+01  0.443504D+00 -0.281755D-01
      3   0.288528D+00 -0.127677D+01  0.667067D-01 -0.281755D-01  0.712584D+00
               121           122           123           124           125 
      1  -0.272081D+01  0.177611D+01 -0.637686D-01 -0.204608D+00 -0.856962D-01
      2   0.177611D+01 -0.679482D+01  0.792963D+00 -0.856962D-01  0.690231D+00
      3  -0.637686D-01  0.792963D+00 -0.150996D+01  0.116722D+01 -0.100171D+01
               126           127           128           129           130 
      1   0.116722D+01  0.141924D+02 -0.171352D+01  0.338685D+01 -0.379187D+01
      2  -0.100171D+01 -0.171352D+01  0.129561D+01 -0.266216D+00  0.173076D+01
      3   0.672730D+00  0.338685D+01 -0.266216D+00  0.205853D+01 -0.115280D+01
               131           132           133           134           135 
      1   0.173076D+01 -0.115280D+01  0.142220D+01 -0.348630D+00  0.134465D+01
      2  -0.518821D+00  0.434096D+00 -0.348630D+00 -0.353529D-01 -0.538246D+00
      3   0.434096D+00 -0.113070D+01  0.134465D+01 -0.538246D+00  0.649769D+00
               136           137           138           139           140 
      1  -0.726150D+00 -0.465103D+00  0.107563D+01 -0.115400D+01 -0.191759D-01
      2  -0.465103D+00 -0.477352D+00  0.169832D+00 -0.191759D-01 -0.142323D+00
      3   0.107563D+01  0.169832D+00 -0.332948D+01 -0.223859D+00  0.117737D+01
               141           142           143           144           145 
      1  -0.223859D+00  0.718641D+00 -0.584049D-01 -0.609167D+00  0.891492D+00
      2   0.117737D+01 -0.584049D-01  0.999103D+00 -0.924607D+00  0.884374D+00
      3  -0.192247D+01 -0.609167D+00 -0.924607D+00  0.772024D+01  0.291204D-01
               146           147           148           149           150 
      1   0.884374D+00  0.291204D-01  0.243182D+01  0.121500D+01  0.907255D+00
      2   0.473373D+00  0.790459D-01  0.121500D+01  0.654676D+01  0.112607D+01
      3   0.790459D-01 -0.377537D+00  0.907255D+00  0.112607D+01  0.169657D+01
               151           152           153           154           155 
      1  -0.641834D+00  0.158809D+00 -0.328527D+00  0.196170D+02  0.221036D+01
      2   0.158809D+00  0.579576D-01  0.688911D+00  0.221036D+01  0.160891D+01
      3  -0.328527D+00  0.688911D+00  0.245306D+00 -0.126358D+01 -0.370725D-01
               156           157           158           159           160 
      1  -0.126358D+01  0.435909D+01  0.404035D+01 -0.619123D+00 -0.213864D+01
      2  -0.370725D-01  0.404035D+01  0.208675D+01 -0.303742D+00 -0.433236D+00
      3   0.260471D+01 -0.619123D+00 -0.303742D+00  0.703613D+00  0.283760D+01
               161           162           163           164           165 
      1  -0.433236D+00  0.283760D+01  0.108175D+02  0.803448D-01 -0.377904D+01
      2   0.349020D+00  0.686809D+00  0.803448D-01 -0.287699D-01  0.364020D+00
      3   0.686809D+00  0.367360D-01 -0.377904D+01  0.364020D+00  0.739368D+00
               166           167           168           169           170 
      1   0.213043D+01 -0.155958D+00 -0.285267D+00 -0.194637D+01  0.494331D+00
      2  -0.155958D+00 -0.705103D+00 -0.148264D+01  0.494331D+00 -0.518098D+00
      3  -0.285267D+00 -0.148264D+01 -0.209105D+00  0.681930D+00 -0.872430D+00
               171           172           173           174           175 
      1   0.681930D+00 -0.959404D+01 -0.623024D-01  0.184873D+01 -0.120201D+01
      2  -0.872430D+00 -0.623024D-01 -0.321141D+00 -0.542475D+00  0.118089D+00
      3  -0.710313D+01  0.184873D+01 -0.542475D+00 -0.240383D+01  0.464030D-02
               176           177           178           179           180 
      1   0.118089D+00  0.464030D-02  0.519960D+01 -0.472275D+00 -0.201553D+01
      2  -0.703593D+00 -0.680009D+00 -0.472275D+00 -0.944904D+00  0.428322D-01
      3  -0.680009D+00 -0.534932D+00 -0.201553D+01  0.428322D-01 -0.280383D+00
               181           182           183           184           185 
      1  -0.720626D+01  0.949801D+00 -0.622061D-01 -0.131239D+02 -0.156628D+01
      2   0.949801D+00 -0.969195D+01  0.116323D+01 -0.156628D+01  0.655618D+01
      3  -0.622061D-01  0.116323D+01 -0.290973D+01 -0.118107D+01 -0.137161D+01
               186           187           188           189           190 
      1  -0.118107D+01  0.152234D+01 -0.960087D-03 -0.418709D+01 -0.429765D+02
      2  -0.137161D+01 -0.960087D-03 -0.199243D+01 -0.223822D+01 -0.464557D+01
      3  -0.130949D+01 -0.418709D+01 -0.223822D+01 -0.184963D+00 -0.166781D+01
               191           192           193           194           195 
      1  -0.464557D+01 -0.166781D+01  0.893375D+00 -0.315812D+01 -0.252472D+00
      2  -0.103041D+02  0.348711D+00 -0.315812D+01 -0.120997D+02  0.131524D+01
      3   0.348711D+00 -0.427839D+01 -0.252472D+00  0.131524D+01  0.386088D+00
               196           197           198           199           200 
      1  -0.247967D+01 -0.791179D+00 -0.717932D+01  0.411146D+02  0.869719D+01
      2  -0.791179D+00  0.350814D+00 -0.415196D+00  0.869719D+01  0.774396D+01
      3  -0.717932D+01 -0.415196D+00 -0.134070D+01  0.182917D+01 -0.674640D+00
               201           202           203           204           205 
      1   0.182917D+01  0.151283D+02  0.274013D+01  0.568819D+00  0.176725D+01
      2  -0.674640D+00  0.274013D+01  0.517663D+01  0.409761D+00  0.184682D-01
      3   0.930015D+00  0.568819D+00  0.409761D+00  0.267966D+01  0.146939D+00
               206           207           208           209           210 
      1   0.184682D-01  0.146939D+00  0.127641D+02  0.374128D+01  0.496871D+00
      2   0.112085D+01  0.441263D+01  0.374128D+01  0.334586D+01 -0.547085D-01
      3   0.441263D+01 -0.124581D+01  0.496871D+00 -0.547085D-01  0.255219D+00
               211           212           213           214           215 
      1  -0.386574D+01 -0.314430D+01  0.170232D+00  0.147726D+01  0.599294D+00
      2  -0.314430D+01  0.132749D+01 -0.484399D+00  0.599294D+00  0.245008D+00
      3   0.170232D+00 -0.484399D+00 -0.129346D+01  0.145924D+00  0.661954D+00
               216           217           218           219           220 
      1   0.145924D+00 -0.687043D+00 -0.430389D+01  0.808882D-01 -0.409841D+01
      2   0.661954D+00 -0.430389D+01 -0.106922D+00 -0.642425D+00  0.306784D+01
      3  -0.102447D-01  0.808882D-01 -0.642425D+00  0.109872D+01 -0.882756D+00
               221           222           223           224           225 
      1   0.306784D+01 -0.882756D+00  0.710227D-01 -0.806911D+00  0.284161D+01
      2   0.136680D+01  0.123260D+01 -0.806911D+00  0.854273D+00  0.438219D+01
      3   0.123260D+01  0.615189D+01  0.284161D+01  0.438219D+01 -0.118934D+01
               226           227           228           229           230 
      1   0.335741D+00 -0.133519D+01  0.173809D+00 -0.372637D+00  0.167589D+00
      2  -0.133519D+01  0.152800D+01 -0.291937D+00  0.167589D+00 -0.102125D+02
      3   0.173809D+00 -0.291937D+00  0.152387D+00 -0.601134D-03  0.105957D+01
               231           232           233           234           235 
      1  -0.601134D-03  0.672562D-01 -0.159826D+00 -0.645697D-01 -0.761031D+01
      2   0.105957D+01 -0.159826D+00  0.120779D+01 -0.219912D+00 -0.346203D+01
      3  -0.945426D+00 -0.645697D-01 -0.219912D+00  0.130794D+00 -0.225728D+00
               236           237           238           239           240 
      1  -0.346203D+01 -0.225728D+00 -0.514574D+01 -0.433052D+01  0.149774D+00
      2  -0.271494D+01  0.260621D-02 -0.433052D+01 -0.425148D+01  0.427203D-01
      3   0.260621D-02 -0.378956D+00  0.149774D+00  0.427203D-01 -0.545407D+00
               241           242           243           244           245 
      1  -0.156304D+00  0.222711D+00  0.403228D+00 -0.691604D+00  0.217991D+01
      2   0.222711D+00  0.182619D+00 -0.142285D+00  0.217991D+01 -0.161791D+01
      3   0.403228D+00 -0.142285D+00  0.123284D+00 -0.249962D+00  0.329524D+00
               246           247           248           249           250 
      1  -0.249962D+00  0.255033D+01 -0.323564D+01  0.433526D+00 -0.289575D+00
      2   0.329524D+00 -0.323564D+01  0.875551D+01 -0.104732D+01  0.520349D+00
      3  -0.310977D+00  0.433526D+00 -0.104732D+01  0.103868D+01 -0.295393D+00
               251           252           253           254           255 
      1   0.520349D+00 -0.295393D+00 -0.958253D+00 -0.410334D+00  0.168390D+01
      2  -0.107243D+01  0.196503D+00 -0.410334D+00 -0.129942D+00  0.495252D+00
      3   0.196503D+00 -0.160979D+00  0.168390D+01  0.495252D+00 -0.466738D+00
               256           257           258           259           260 
      1  -0.183929D+01 -0.186646D+01  0.133175D+01  0.511394D+01  0.150091D+01
      2  -0.186646D+01 -0.198972D+01  0.153867D+01  0.150091D+01  0.168587D+01
      3   0.133175D+01  0.153867D+01 -0.251925D+01 -0.326199D+01 -0.237027D+01
               261           262           263           264           265 
      1  -0.326199D+01  0.125190D+00 -0.398546D+00 -0.110519D+01 -0.231673D+01
      2  -0.237027D+01 -0.398546D+00  0.677290D-01 -0.138271D+00 -0.215006D+01
      3   0.540501D+01 -0.110519D+01 -0.138271D+00  0.971577D-01 -0.138669D+01
               266           267           268           269           270 
      1  -0.215006D+01 -0.138669D+01 -0.372143D+01 -0.131646D+01 -0.272209D+01
      2  -0.326466D+01 -0.246577D+01 -0.131646D+01 -0.227328D+01 -0.284707D+01
      3  -0.246577D+01 -0.319415D+01 -0.272209D+01 -0.284707D+01 -0.453313D+01
               271           272           273           274           275 
      1  -0.128808D+02  0.328756D+01 -0.116332D+01  0.680680D+01 -0.272789D+01
      2   0.328756D+01 -0.152121D+01  0.317789D+00 -0.272789D+01  0.216553D+01
      3  -0.116332D+01  0.317789D+00 -0.117369D+01  0.600280D+00 -0.398367D+00
               276           277           278           279 
      1   0.600280D+00 -0.165104D+01  0.407301D+00 -0.184634D+01
      2  -0.398367D+00  0.407301D+00 -0.365640D+00  0.589168D-01
      3   0.465639D+00 -0.184634D+01  0.589168D-01 -0.401660D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.137269D+01 -0.345451D+01  0.348784D+00 -0.313977D+01 -0.205959D+01
      2  -0.994924D+01  0.354755D+01 -0.822303D+00  0.139636D+02  0.301769D+01
      3  -0.880765D+01  0.418412D+02 -0.519226D+01  0.424154D+02  0.212336D+02
                 6             7             8             9            10 
      1  -0.815121D-01  0.430312D+01  0.725322D+01 -0.532754D+00 -0.178776D+01
      2  -0.796901D-02 -0.212081D+02 -0.214228D+01 -0.148462D+01  0.123137D+02
      3   0.201419D+00 -0.180766D+01  0.178198D+01 -0.220720D+01  0.169278D+02
                11            12            13            14            15 
      1  -0.478940D+01 -0.405177D-01 -0.376844D+01  0.725778D+00  0.776584D+00
      2   0.672701D+01 -0.497810D+01 -0.861025D+01  0.813700D+00 -0.163437D+00
      3   0.533192D+02 -0.424539D+01  0.551522D+02  0.173635D+02  0.254501D+01
                16            17            18            19            20 
      1   0.273597D+01  0.648892D+01 -0.713330D+00 -0.256734D+01  0.472491D+00
      2  -0.194501D+02 -0.454495D+00 -0.170010D+01  0.182763D+02 -0.451065D+00
      3  -0.192149D+01  0.331639D+01  0.109020D+01  0.237743D+02 -0.299730D+02
                21            22            23            24            25 
      1  -0.109267D+01  0.113938D+01 -0.203586D+01 -0.319923D+01  0.319301D+01
      2  -0.354664D+00  0.358698D+01  0.389908D+00 -0.217557D+01 -0.181985D+02
      3   0.482236D+01  0.973605D+01  0.317625D+01  0.541752D+00  0.201413D+01
                26            27            28            29            30 
      1  -0.570765D+00 -0.128740D+01 -0.142989D+01 -0.650457D+00  0.197020D+00
      2  -0.687233D+01  0.552321D+00 -0.150916D+02 -0.702421D+00  0.180301D+01
      3  -0.177528D+01  0.449050D+01 -0.562823D+00  0.508255D+01 -0.100832D+01
                31            32            33            34            35 
      1  -0.411193D+01  0.548508D+01  0.198751D+01  0.200510D+01  0.127983D+02
      2   0.198117D+01 -0.429112D+00  0.178043D+01 -0.143681D+02 -0.148029D+01
      3   0.268660D+02  0.729001D+01 -0.706386D+00 -0.272140D-01  0.544422D+00
                36            37            38            39            40 
      1  -0.109595D+01 -0.133264D+01  0.157245D+01 -0.597031D+01 -0.666379D+00
      2  -0.205360D+01  0.175103D+01  0.609902D+00  0.317334D+01 -0.505798D+01
      3  -0.213154D+01  0.301321D+02  0.223752D+01  0.505701D+00 -0.101426D+02
                41            42            43            44            45 
      1  -0.173346D+01  0.325987D+00 -0.147229D+02  0.879604D+01 -0.218188D+01
      2   0.839538D+00  0.368765D+00 -0.806240D+01  0.576310D+01 -0.123376D+01
      3   0.677257D+00  0.844141D+00  0.268173D+01  0.177281D+01  0.565837D+01
                46            47            48            49            50 
      1   0.378372D+01  0.157940D+01  0.501528D+01  0.220089D+01  0.918669D+00
      2  -0.232805D+01 -0.500299D+01  0.165522D+00 -0.330277D+01 -0.288739D+01
      3  -0.559196D+02 -0.357957D+02  0.928385D+00 -0.691650D+01 -0.219228D+02
                51            52            53            54            55 
      1  -0.390116D+01  0.595079D+01 -0.347160D+01  0.320659D+01  0.111649D+01
      2   0.102343D+01 -0.171274D+02  0.180580D+01 -0.192518D+01 -0.145144D+01
      3   0.650934D+00 -0.148925D+01 -0.179934D+01 -0.505468D+01 -0.302501D+02
                56            57            58            59            60 
      1   0.490642D+01  0.459886D+01 -0.103698D-01  0.949736D+00 -0.381733D+01
      2  -0.450155D+01 -0.605938D+01 -0.175602D+01 -0.639877D+00  0.398596D+01
      3  -0.344588D+02  0.364432D+01 -0.259719D-01 -0.242824D+02  0.767198D+00
                61            62            63            64            65 
      1   0.355943D+01 -0.307136D+01  0.156344D+01 -0.485610D+00 -0.125623D+00
      2  -0.216659D+02  0.625433D+01 -0.462628D+01  0.120499D+00  0.479599D+00
      3   0.101798D+01 -0.263785D+01 -0.934719D+01  0.523037D+00  0.334082D+00
                66            67            68            69            70 
      1   0.832117D+00  0.618870D+00 -0.200351D+01 -0.377036D+01  0.223691D+00
      2   0.211155D+00  0.867376D+00  0.147138D+00 -0.124607D+01 -0.184051D+01
      3   0.664813D-01  0.445536D+01  0.564110D+01 -0.657043D+00 -0.100726D+00
                71            72            73            74            75 
      1   0.262323D+01  0.409092D+00 -0.100802D+01  0.285943D+00 -0.297966D+01
      2   0.102441D+01 -0.444312D-01 -0.759152D+00 -0.745081D+00  0.243087D+01
      3  -0.567869D+00 -0.586606D+00  0.115823D+02 -0.105097D+00  0.897326D+00
                76            77            78            79            80 
      1   0.140793D+01  0.838453D+00 -0.256593D+01  0.163219D+01  0.937191D+00
      2  -0.144724D+01 -0.934319D+00  0.251878D+01 -0.258311D+01  0.339483D+00
      3   0.180262D+01 -0.146902D+01 -0.319955D+00  0.241952D+01 -0.143135D+00
                81            82            83            84            85 
      1   0.147942D+00  0.742386D+00 -0.787880D+00  0.106628D+01 -0.332456D+00
      2  -0.354044D+00 -0.330468D+00  0.416850D-01  0.438679D+00  0.386805D+00
      3  -0.379871D+00 -0.440722D+01  0.212550D+01 -0.621703D+00  0.507961D+01
                86            87            88            89            90 
      1   0.252318D+01 -0.514092D+01 -0.118625D+01  0.203803D+01  0.273340D+00
      2  -0.359552D+00 -0.642430D+00 -0.817795D+00 -0.876384D+00  0.289138D+00
      3  -0.345271D+01  0.567703D+00 -0.108680D+01  0.114730D+01  0.930310D+00
                91            92            93            94            95 
      1  -0.208982D+01 -0.399790D+00 -0.129423D+01 -0.234391D+01  0.255125D+01
      2   0.121671D+02 -0.712062D+00 -0.894776D+01 -0.465787D+01 -0.279086D+01
      3   0.690206D+01 -0.547895D+01  0.169150D+01  0.968766D+01 -0.231131D+02
                96            97            98            99           100 
      1  -0.323897D+01 -0.448976D+01  0.315437D+01 -0.953302D+00  0.579506D+01
      2  -0.208295D+01 -0.358666D+02 -0.292350D+01  0.548598D+01  0.978124D+01
      3   0.471562D+01  0.392839D+01  0.327679D+01  0.635262D+01 -0.174729D+02
               101           102           103           104           105 
      1   0.438337D+00  0.478940D-01 -0.210599D+01 -0.121327D+02 -0.380859D+01
      2  -0.328102D+01  0.234103D+02 -0.185424D+01  0.117585D+01  0.953094D+01
      3  -0.148774D+01 -0.284827D+01  0.422375D+01  0.251951D+02  0.677475D+00
               106           107           108           109           110 
      1   0.199340D+01  0.191904D+01  0.708030D+01  0.471019D+01  0.267257D+01
      2   0.161618D+02  0.775680D+01 -0.125979D+02 -0.166360D+02  0.288364D+00
      3  -0.483809D+01 -0.392020D+00 -0.981264D+01  0.246423D+01  0.134434D+02
               111           112           113           114           115 
      1   0.686753D+01  0.118047D+02 -0.272077D+00 -0.159148D+02  0.533403D+01
      2   0.437830D+01  0.341638D+01 -0.118874D+01 -0.524134D+01  0.105762D+02
      3   0.197005D+00  0.176778D+02  0.115324D+02 -0.261662D+01 -0.200017D-01
               116           117           118           119           120 
      1  -0.511406D+01 -0.193479D+00 -0.480752D+00  0.483574D+00  0.179293D+00
      2  -0.184532D+01 -0.235084D+01  0.124615D+01  0.541086D+00  0.297720D+01
      3  -0.935277D+00 -0.291018D+01  0.701607D+01 -0.133827D+01 -0.149188D+00
               121           122           123           124           125 
      1   0.750776D+00 -0.426083D+01 -0.230006D+01  0.145268D+00  0.715155D+00
      2   0.112276D+01  0.162211D+01 -0.472928D+01  0.225356D+01 -0.289390D+01
      3  -0.120889D+01  0.248595D+02 -0.290323D+01  0.422176D+00 -0.252157D+01
               126           127           128           129           130 
      1   0.283546D+00 -0.318883D+01  0.362820D+01 -0.182571D+00  0.347049D+01
      2   0.153642D+01 -0.111942D+02  0.213650D+01  0.600944D+01  0.177302D+01
      3   0.282231D+01  0.872559D+01 -0.881338D+01  0.147095D+01 -0.685947D+01
               131           132           133           134           135 
      1  -0.679454D+00 -0.280733D+00 -0.102544D+01  0.816965D+00 -0.114429D+01
      2  -0.130257D+01 -0.348505D+01  0.231531D+01 -0.155054D+01 -0.595231D-01
      3   0.160651D+01 -0.166908D+01  0.129541D+01 -0.138340D+01  0.255150D+01
               136           137           138           139           140 
      1  -0.164124D+01 -0.244321D+01  0.739839D+00 -0.795129D+00 -0.635101D+00
      2   0.847985D+01  0.197503D+01 -0.148864D+02  0.170059D+01  0.471620D+01
      3   0.234803D+01  0.172664D+01 -0.816515D+00  0.156044D+01  0.296531D+00
               141           142           143           144           145 
      1   0.145711D+01  0.939080D-01  0.421981D+01 -0.299094D+01  0.299808D+01
      2  -0.739517D+01 -0.720412D+01 -0.410407D+01  0.318031D+02 -0.115187D+01
      3  -0.443888D+01  0.377990D+00 -0.322298D+01  0.402014D+01 -0.528622D+01
               146           147           148           149           150 
      1   0.648206D+00  0.452732D+00  0.106800D+01  0.148660D+02 -0.109016D+01
      2  -0.115250D+01 -0.111515D+01 -0.633487D+00  0.207000D+01  0.548026D+01
      3  -0.143689D+01 -0.106235D+01 -0.303811D+00 -0.290275D+02 -0.348727D+01
               151           152           153           154           155 
      1   0.823690D+00  0.675944D+00  0.155777D+01 -0.420029D+01 -0.285601D+01
      2  -0.133983D+01  0.226145D+01  0.121620D+01  0.837829D+01  0.138700D+01
      3  -0.256383D+01  0.412029D+00 -0.319954D+01 -0.132410D+02 -0.217319D+02
               156           157           158           159           160 
      1  -0.250771D+01 -0.817260D+01 -0.252407D+01  0.573099D+00 -0.359536D+00
      2   0.209764D+02 -0.335324D+01  0.160614D+01  0.703996D+01  0.860389D+01
      3  -0.112177D+00 -0.165536D+02 -0.137948D+02  0.205872D+01  0.121208D+01
               161           162           163           164           165 
      1   0.348870D+01 -0.103794D+01 -0.532907D+01 -0.135529D+01 -0.509984D+00
      2   0.312063D+01  0.122620D+01  0.892513D+01  0.244103D+01  0.438985D+00
      3   0.186034D+01 -0.371149D+01 -0.800943D+01 -0.401080D+01  0.714237D+00
               166           167           168           169           170 
      1  -0.404667D+01  0.151496D+01  0.454665D+01  0.247765D+01  0.804558D+01
      2   0.360487D+01 -0.606868D+01  0.613748D+00 -0.800542D+01 -0.285257D+01
      3  -0.848744D+00  0.216353D+01  0.716850D+01  0.519689D+00  0.258828D+01
               171           172           173           174           175 
      1  -0.337180D+01  0.520523D+01  0.126115D+01 -0.190822D+01  0.443164D+01
      2  -0.246782D+02 -0.200310D+02 -0.242765D+01 -0.489261D+01 -0.342940D+01
      3   0.344688D+01  0.908453D+01  0.208133D+01 -0.855723D-01  0.552935D+01
               176           177           178           179           180 
      1  -0.457784D+00 -0.225107D+01 -0.250865D+01 -0.362873D+00  0.103425D+01
      2  -0.247854D+01 -0.139276D+01 -0.387380D+00 -0.245788D+00 -0.237119D+01
      3   0.100440D+01  0.117882D+01 -0.298474D+01 -0.386501D+00  0.142728D+01
               181           182           183           184           185 
      1   0.398146D+00 -0.364580D+01 -0.592918D+01 -0.540659D+00  0.146234D+01
      2   0.250390D+01  0.768698D+00  0.951581D+01  0.103748D+01  0.228473D+01
      3   0.161236D+02  0.450578D+01 -0.705147D+00 -0.123881D+02  0.680709D+01
               186           187           188           189           190 
      1  -0.110045D+01 -0.122657D+02  0.669966D+01 -0.235496D+01 -0.181220D+01
      2   0.393128D+01 -0.238034D+01  0.106661D+02 -0.828800D-02  0.113822D+02
      3  -0.189326D+01  0.166621D+01 -0.961371D+00  0.425094D-01  0.184152D+02
               191           192           193           194           195 
      1  -0.470244D+01  0.230170D+01 -0.390185D+01 -0.997093D+00  0.372889D+01
      2   0.409862D+01  0.338733D+01  0.482766D+01  0.125229D+01 -0.611296D+00
      3   0.201293D+02 -0.766241D+00  0.386231D+02  0.558955D+01  0.273449D+01
               196           197           198           199           200 
      1   0.168650D+00  0.124617D+02 -0.178827D+01  0.199582D+00  0.495408D+01
      2   0.372393D+01 -0.410950D+01  0.256301D+01 -0.831503D+01 -0.531366D+01
      3  -0.257347D+01  0.238154D+01 -0.362291D+00  0.325099D+01 -0.421662D+02
               201           202           203           204           205 
      1  -0.893483D+00  0.129676D+01  0.159922D+01 -0.373269D+01  0.460767D+01
      2   0.182010D+01 -0.520484D+01 -0.395074D+01 -0.584435D+01 -0.197036D+02
      3   0.363863D+01 -0.213209D+01 -0.894371D+01  0.192019D+01  0.224146D+01
               206           207           208           209           210 
      1   0.160026D+01  0.104260D+01  0.135304D+01  0.384600D+01 -0.177600D+01
      2  -0.156230D+02  0.226160D+01 -0.432419D+01 -0.345031D+01  0.140177D+02
      3   0.436031D+00  0.903845D+01 -0.678484D+01 -0.382989D+02  0.163286D+01
               211           212           213           214           215 
      1  -0.525615D+00 -0.152426D+01 -0.435244D+01 -0.234121D+01 -0.101891D+01
      2  -0.212063D+00  0.286419D+01  0.614935D+01 -0.677049D+01 -0.156011D+01
      3   0.616275D+00  0.147598D+02 -0.219892D+01 -0.695691D+00 -0.449642D+01
               216           217           218           219           220 
      1   0.243283D+00  0.672629D+00 -0.153696D+01  0.138412D+01 -0.102724D+01
      2   0.389213D+00 -0.267046D+00  0.431620D+01 -0.765626D+01  0.489742D+01
      3   0.292062D+01 -0.295897D+02  0.142708D+02 -0.575674D+01  0.294726D+02
               221           222           223           224           225 
      1  -0.562384D+00  0.255880D+01  0.952625D+01  0.455701D+01 -0.161813D+01
      2  -0.600027D+01 -0.398625D+02 -0.228393D+02 -0.286763D+02  0.818455D+01
      3   0.200400D+02  0.803536D+01 -0.510889D+01  0.611511D+01  0.297907D+02
               226           227           228           229           230 
      1   0.185630D+00 -0.275781D+00  0.977957D+00  0.677470D-02 -0.703069D+00
      2  -0.749526D+00  0.866569D+00  0.899099D-01  0.452758D+00 -0.219629D+01
      3  -0.629318D+01  0.425692D+01 -0.103766D+01  0.431217D+01 -0.206274D+02
               231           232           233           234           235 
      1  -0.455469D+01 -0.241293D+00  0.292981D+01  0.148027D+00 -0.104908D+01
      2   0.104525D+01 -0.337644D+00 -0.227091D+00  0.703698D-01  0.222511D+01
      3   0.225164D+01 -0.106621D+01  0.307345D+01  0.138504D+00  0.406599D+01
               236           237           238           239           240 
      1  -0.393503D+00 -0.189752D+01 -0.835136D-02 -0.164291D+00 -0.244162D+01
      2   0.379260D+00  0.230239D+01 -0.405511D-01  0.169431D+00  0.312282D+01
      3  -0.542451D+01  0.614361D+00 -0.523407D+01 -0.106203D+02  0.676990D-01
               241           242           243           244           245 
      1   0.234482D+01  0.100100D+01  0.185543D+00  0.165148D+00 -0.304595D+00
      2  -0.325710D+01  0.156359D+00 -0.629716D+00  0.574685D+00 -0.732461D+00
      3   0.154625D+01  0.606614D+00 -0.104379D+01  0.342198D+01 -0.249970D+01
               246           247           248           249           250 
      1   0.105324D+01 -0.298851D+00  0.466395D-02 -0.406398D+01 -0.224544D-01
      2   0.127070D+01 -0.700571D+00  0.263212D+01 -0.325349D+01 -0.190752D+01
      3   0.548546D+00 -0.149965D+01  0.209763D+02 -0.227057D+01  0.749839D+00
               251           252           253           254           255 
      1   0.192969D+01  0.288881D+00 -0.187208D+00  0.185944D+00 -0.120184D+00
      2   0.125015D+00  0.246236D+00 -0.108183D+02 -0.285899D+01  0.344045D+01
      3  -0.231765D+01  0.181566D-01 -0.406102D+01 -0.255198D+01  0.255222D+01
               256           257           258           259           260 
      1   0.107423D+01  0.711890D+00 -0.254659D+01 -0.265533D+01  0.103031D+01
      2  -0.670098D+01 -0.939769D+01  0.159518D+02  0.162654D+02  0.151567D+02
      3  -0.101925D+02 -0.158903D+02  0.990835D+01  0.790393D+01  0.127741D+02
               261           262           263           264           265 
      1   0.422321D+01  0.981267D+00 -0.333578D-01  0.656937D+00 -0.106437D+00
      2  -0.332078D+02  0.722679D+01  0.172595D+00 -0.246256D+00  0.533178D+01
      3  -0.158321D+02 -0.416646D+01 -0.884865D+00 -0.114475D+00 -0.113631D+02
               266           267           268           269           270 
      1   0.123750D+01 -0.220915D+01 -0.116441D+01  0.181809D+01 -0.236926D+01
      2   0.132785D+02  0.189257D+02  0.117554D+02  0.168513D+02  0.256725D+02
      3  -0.241094D+02 -0.152333D+02 -0.658570D+01 -0.158594D+02 -0.183296D+02
               271           272           273           274           275 
      1  -0.108953D+01  0.819853D+00  0.382656D+00  0.811097D+00 -0.770665D+00
      2   0.386624D+01 -0.131744D+01  0.908206D+01 -0.198918D+01  0.174512D+01
      3   0.228280D+02 -0.138153D+02  0.247387D+01 -0.171171D+02  0.143015D+02
               276           277           278           279 
      1  -0.972932D+00 -0.869373D+00  0.529471D+00  0.691443D-01
      2  -0.333486D+01  0.924176D+01 -0.104556D+00  0.200910D+01
      3  -0.262087D+01  0.287298D+01 -0.268712D+01  0.169666D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.932733D+02 -0.416041D+02 -0.701546D+00  0.940705D+02 -0.843097D+01
      2   0.487586D+02  0.246834D+02  0.563943D+00 -0.428342D+02  0.120833D+02
      3   0.445146D+02  0.169207D+02  0.137603D+00 -0.512362D+02 -0.365229D+01
      4  -0.328223D+02  0.623486D+01 -0.280735D+01 -0.284094D+01  0.105563D+02
      5   0.323337D+01 -0.259137D+01 -0.104922D+01 -0.491898D+01 -0.357292D+01
      6  -0.921471D-01  0.115397D+01 -0.612596D+00 -0.402551D+01 -0.312097D+01
                 6             7             8             9            10 
      1   0.638510D+01 -0.181269D+02 -0.348093D+01 -0.118648D+02  0.618445D+02
      2  -0.444389D+01  0.799147D+01  0.183461D+01  0.196305D-01 -0.161547D+02
      3  -0.194121D+01  0.101354D+02  0.164633D+01  0.118451D+02 -0.456898D+02
      4  -0.158679D+01 -0.218964D+01 -0.759438D+00  0.726174D-01 -0.314743D+01
      5  -0.109515D+01  0.215800D+01  0.165291D+01 -0.155142D+01  0.162682D+01
      6  -0.358337D+00 -0.294280D+01  0.449103D+01  0.211891D+00 -0.579033D+01
                11            12            13            14            15 
      1  -0.152348D+02  0.791173D+01 -0.115062D+03 -0.226635D+02 -0.643144D+01
      2   0.118927D+02 -0.257508D+01  0.519346D+02  0.200531D+02  0.114583D+01
      3   0.334211D+01 -0.533665D+01  0.631277D+02  0.261037D+01  0.528562D+01
      4   0.871340D+00 -0.119348D+01 -0.189652D+02 -0.145565D+02  0.509363D+00
      5  -0.372743D+01 -0.965967D+01  0.643335D+01  0.251552D+01  0.957663D+00
      6  -0.106403D+01 -0.313840D+00  0.285942D+01  0.504258D+00 -0.235446D+01
                16            17            18            19            20 
      1   0.184146D+02  0.303616D+00 -0.802334D+01  0.655145D+02  0.444064D+02
      2  -0.692089D+01 -0.730653D+00 -0.138128D+01 -0.308373D+02 -0.285545D+02
      3  -0.114937D+02  0.427037D+00  0.940463D+01 -0.346772D+02 -0.158518D+02
      4   0.209195D+01  0.820754D+00 -0.253261D+01  0.339891D+02 -0.115700D+02
      5  -0.125345D+01 -0.223175D+01 -0.230998D+01 -0.801194D+01  0.196480D+01
      6  -0.212809D+01  0.400404D+01  0.138733D+01 -0.214824D+01 -0.493138D+01
                21            22            23            24            25 
      1   0.313801D+01 -0.129464D+02  0.196696D+02 -0.156007D+01  0.816080D+01
      2  -0.227717D+00  0.194977D+02 -0.253193D+02  0.492304D+01 -0.489007D+01
      3  -0.291029D+01 -0.655133D+01  0.564973D+01 -0.336297D+01 -0.327073D+01
      4   0.306223D+01  0.139838D+02  0.204392D+01 -0.140162D+01  0.355587D+01
      5  -0.511621D+01 -0.270727D+01 -0.269368D+01 -0.723677D+01  0.928774D+01
      6   0.115879D+01 -0.414694D+01  0.422806D+01  0.585761D+01 -0.114334D+01
                26            27            28            29            30 
      1   0.456013D+01 -0.126373D+02 -0.321259D+00 -0.193319D+01 -0.345533D+01
      2   0.291345D+01 -0.163097D+01 -0.183994D+02  0.179100D+01 -0.234299D+00
      3  -0.747358D+01  0.142683D+02  0.187207D+02  0.142191D+00  0.368963D+01
      4  -0.332231D+01 -0.490651D+01 -0.167559D+02  0.113237D+02 -0.648919D+00
      5  -0.826722D+01 -0.585203D-01  0.113180D+02  0.192229D+01  0.983282D+01
      6   0.123682D+02 -0.273384D+01  0.567173D+01  0.241877D+01 -0.214722D+01
                31            32            33            34            35 
      1  -0.483192D+02 -0.590333D+02  0.483998D+01  0.252473D+00  0.420839D+01
      2   0.391611D+02  0.519357D+02 -0.605807D+01 -0.541127D+01 -0.512596D+01
      3   0.915814D+01  0.709757D+01  0.121809D+01  0.515880D+01  0.917570D+00
      4  -0.304884D+02  0.465689D+01 -0.182677D+01  0.476528D+01  0.473394D-02
      5   0.547407D+01 -0.164181D+01  0.351426D+01  0.302642D+02  0.409753D+01
      6  -0.463187D+01  0.134358D+01 -0.420473D+01 -0.382685D+01  0.280532D+01
                36            37            38            39            40 
      1  -0.114189D+01 -0.190873D+02 -0.569222D+02  0.205746D+01  0.402933D+02
      2  -0.943686D+01  0.951154D+01  0.430264D+02 -0.153233D+01 -0.403760D+02
      3   0.105788D+02  0.957579D+01  0.138958D+02 -0.525127D+00  0.826930D-01
      4  -0.149154D+01 -0.118278D+02 -0.159806D+01 -0.101707D+01  0.888016D+01
      5   0.870781D+00  0.132391D+01 -0.392223D+01  0.827455D+01  0.376942D+01
      6   0.178252D+01 -0.347570D+01  0.324116D+01  0.105451D+02  0.827048D+01
                41            42            43            44            45 
      1   0.367222D+02 -0.389888D+01 -0.896919D+01 -0.116987D+02 -0.940680D+01
      2  -0.335699D+02  0.117875D+01  0.747180D+01  0.817111D+01 -0.137407D+01
      3  -0.315226D+01  0.272012D+01  0.149738D+01  0.352763D+01  0.107809D+02
      4  -0.173741D+02  0.384966D+01 -0.224082D+01  0.250373D+01  0.794632D+01
      5   0.540193D+01  0.491143D+01  0.172089D+02  0.475080D+01  0.583452D+00
      6  -0.103260D+01  0.127386D+01  0.181759D+02  0.775951D+01  0.519073D+01
                46            47            48            49            50 
      1   0.324883D+02  0.435814D+02  0.165643D+01 -0.821386D+01  0.410320D+01
      2  -0.245254D+02 -0.335693D+02 -0.598994D+00  0.564367D+01 -0.152505D+02
      3  -0.796291D+01 -0.100121D+02 -0.105743D+01  0.257019D+01  0.111473D+02
      4   0.578163D+01 -0.874703D+01  0.148461D+01  0.914472D+01  0.841592D+01
      5  -0.467194D+01  0.403213D+01 -0.230041D+01 -0.311422D+00 -0.403204D+00
      6   0.392631D+01 -0.567701D+01 -0.741746D+01 -0.287315D+00  0.734799D+01
                51            52            53            54            55 
      1  -0.436210D+01  0.589857D+01 -0.125123D+01 -0.216814D+02  0.207032D+02
      2   0.460966D+01 -0.479477D+01  0.411726D+01  0.100045D+02 -0.181774D+02
      3  -0.247561D+00 -0.110380D+01 -0.286603D+01  0.116769D+02 -0.252581D+01
      4  -0.109610D+01  0.104652D+00 -0.393874D+01 -0.135115D+01  0.251584D+02
      5   0.240459D+00  0.409350D+01  0.140022D+01 -0.247095D+01  0.250310D+01
      6   0.920600D+01 -0.348347D+01  0.223339D+02 -0.228673D+01  0.322204D+01
                56            57            58            59            60 
      1   0.539170D+02 -0.138606D+01  0.766653D+01  0.221842D+02 -0.469576D+01
      2  -0.357377D+02 -0.590587D+00 -0.191469D+01 -0.239391D+02  0.588241D+01
      3  -0.181793D+02  0.197665D+01 -0.575183D+01  0.175483D+01 -0.118666D+01
      4  -0.414533D+02  0.440428D+01  0.276567D+02  0.137774D+02  0.181636D+01
      5   0.579878D+01 -0.132955D+02 -0.319584D+01  0.113472D+01  0.610618D+01
      6  -0.191603D+01 -0.845333D+01 -0.324286D+00  0.628972D+01  0.860512D+01
                61            62            63            64            65 
      1   0.248759D+01 -0.136171D+01 -0.207844D+02 -0.112191D+01  0.274146D+01
      2  -0.172445D+01  0.651185D+01  0.722338D+01  0.404325D+01 -0.394497D+01
      3  -0.763143D+00 -0.515014D+01  0.135610D+02 -0.292134D+01  0.120350D+01
      4  -0.224659D+01 -0.374518D+01  0.142120D+02 -0.517566D+01  0.987422D+01
      5   0.136425D+01  0.162826D+02 -0.802387D+01  0.112479D+01 -0.178760D+01
      6   0.180572D+01  0.209642D+02 -0.467287D+01 -0.195871D+01  0.173318D+01
                66            67            68            69            70 
      1  -0.497642D+00  0.772510D+01 -0.322321D+02  0.480961D+01 -0.181093D+00
      2   0.280340D+00 -0.103479D+02  0.389923D+02 -0.367467D+01  0.389480D+00
      3   0.217302D+00  0.262284D+01 -0.676017D+01 -0.113494D+01 -0.208386D+00
      4  -0.139573D+01  0.103368D+02 -0.186230D+02  0.235523D+01 -0.165271D+01
      5   0.152896D+01 -0.173496D+01  0.154134D+01 -0.231192D+01  0.266797D+00
      6  -0.121406D+01  0.292092D+01 -0.963390D+01  0.703324D+01 -0.190207D+01
                71            72            73            74            75 
      1   0.333506D+01 -0.380705D+01  0.114744D+02 -0.719128D+00  0.441159D+00
      2  -0.363869D+01  0.387664D+01 -0.269249D+00  0.789489D+01 -0.743972D+00
      3   0.303636D+00 -0.695861D-01 -0.112052D+02 -0.717576D+01  0.302814D+00
      4   0.282833D+01 -0.922480D+00  0.258680D+02  0.193354D+02 -0.310166D-01
      5  -0.348798D-02  0.668385D+00  0.316744D+01  0.196319D+00  0.504009D+01
      6   0.360453D+01 -0.198455D+01  0.172646D+01  0.924655D+00  0.276420D+01
                76            77            78            79            80 
      1  -0.377996D+01 -0.865561D+01 -0.217655D+00  0.190440D+01  0.484135D+00
      2   0.134198D+02  0.184707D+02 -0.363060D-02 -0.222292D+01 -0.937894D+00
      3  -0.963982D+01 -0.981510D+01  0.221286D+00  0.318517D+00  0.453759D+00
      4   0.257767D+02  0.255853D+02 -0.305129D+00 -0.121634D+01 -0.130756D+01
      5  -0.318843D+00  0.921379D-01  0.326785D+01  0.845062D+00  0.194931D+01
      6   0.847606D+00  0.145801D+01  0.424954D+01 -0.827904D+00  0.235851D+01
                81            82            83            84            85 
      1   0.642936D+00 -0.422032D+01  0.686019D+01 -0.132622D+01  0.350898D+01
      2   0.477826D+00  0.658377D+01 -0.924158D+01  0.120624D+01 -0.405551D+01
      3  -0.112076D+01 -0.236345D+01  0.238139D+01  0.119978D+00  0.546523D+00
      4   0.229659D+01 -0.285856D+01  0.110860D+02 -0.941776D+00  0.645316D+01
      5  -0.269881D+00 -0.294795D+00 -0.538797D-01  0.160514D+01 -0.180700D+00
      6  -0.483808D+00 -0.547206D+00  0.133358D+01 -0.151844D+01  0.155357D+00
                86            87            88            89            90 
      1  -0.529939D+02  0.528117D+01 -0.129627D+01  0.659397D+01 -0.260991D+01
      2   0.706372D+02 -0.587351D+01  0.131388D+01 -0.789251D+01  0.322731D+01
      3  -0.176433D+02  0.592344D+00 -0.176173D-01  0.129854D+01 -0.617403D+00
      4  -0.857834D+01  0.548439D+00 -0.814906D+00  0.152127D+01 -0.166438D+01
      5  -0.185423D+01 -0.360081D+00  0.693144D+00 -0.116199D+01  0.476466D+00
      6  -0.449617D+01  0.780137D+01  0.491071D+00  0.334608D+01 -0.175739D+01
                91            92            93            94            95 
      1  -0.990150D+01 -0.663040D+01  0.102787D+02 -0.979782D+01  0.145009D+02
      2   0.178032D+02  0.656165D+01  0.958555D+00  0.124153D+02 -0.200758D+02
      3  -0.790169D+01  0.687513D-01 -0.112373D+02 -0.261743D+01  0.557489D+01
      4  -0.373283D+01  0.116838D+01 -0.438204D+01 -0.357243D+01  0.403303D+02
      5  -0.547072D+00 -0.593669D+01 -0.261822D+02 -0.200973D+02 -0.496561D+01
      6  -0.577928D+01 -0.207481D+01 -0.758057D+00 -0.278695D+00  0.975471D+01
                96            97            98            99           100 
      1  -0.112273D+02  0.372844D+01 -0.535641D+01 -0.258525D+02 -0.627668D+02
      2   0.135796D+02  0.521913D+01  0.544615D+01  0.192353D+02  0.346823D+02
      3  -0.235231D+01 -0.894756D+01 -0.897340D-01  0.661721D+01  0.280845D+02
      4  -0.478687D+01 -0.970443D+01 -0.474851D+01 -0.483849D+01  0.278309D+02
      5  -0.688089D+01 -0.597689D+02 -0.767067D+01 -0.274317D+01 -0.336513D+02
      6  -0.115614D+01 -0.310211D+00 -0.776044D+00 -0.480825D+01  0.133863D+02
               101           102           103           104           105 
      1   0.203451D+02 -0.328298D+02  0.361731D+02  0.651383D+00 -0.378110D+00
      2  -0.107680D+02  0.110748D+01 -0.267588D+02 -0.748285D+01 -0.115422D+02
      3  -0.957711D+01  0.317223D+02 -0.941435D+01  0.683146D+01  0.119203D+02
      4  -0.173659D+01  0.395009D+01 -0.474514D+01 -0.419491D+02 -0.160840D+01
      5   0.937598D+01  0.204061D+02  0.244466D+02 -0.498681D+00  0.199872D+02
      6  -0.270702D+00  0.554898D+00 -0.314823D+00 -0.182213D+02 -0.107745D+00
               106           107           108           109           110 
      1  -0.706854D+01 -0.329220D+01  0.394148D+02 -0.949605D+02 -0.138403D+02
      2  -0.136766D+02 -0.532192D+01 -0.115534D+02  0.418689D+02  0.248752D+01
      3   0.207452D+02  0.861412D+01 -0.278614D+02  0.530916D+02  0.113528D+02
      4   0.588216D+01  0.175205D+01  0.159063D+02 -0.205226D+02 -0.165554D+02
      5   0.411769D+02  0.154400D+02  0.120523D+02  0.158779D+02  0.690581D+01
      6   0.388529D+01  0.144602D+01  0.120036D+02  0.644533D+01  0.237324D+01
               111           112           113           114           115 
      1   0.616994D+01 -0.232011D+02 -0.106206D+02  0.584632D+01 -0.197335D+02
      2  -0.299905D+01  0.596865D+01  0.109239D+02 -0.296248D+01  0.148369D+02
      3  -0.317089D+01  0.172324D+02 -0.303300D+00 -0.288384D+01  0.489663D+01
      4   0.454497D+01  0.167748D+01 -0.169845D+02  0.951186D-01  0.616928D+01
      5  -0.220380D+01  0.130770D+02  0.175632D+01 -0.154359D+01  0.237235D+02
      6  -0.296773D+01  0.256784D+01  0.111318D+01  0.832163D+00  0.910785D+00
               116           117           118           119           120 
      1   0.524905D+01  0.225635D+02 -0.717363D+01 -0.674486D+01 -0.653456D+00
      2  -0.236276D+01 -0.572200D+01  0.887487D+01  0.269606D+01  0.367867D+00
      3  -0.288629D+01 -0.168415D+02 -0.170124D+01  0.404880D+01  0.285589D+00
      4  -0.239395D+01  0.200890D+01 -0.946297D+01  0.772801D+01 -0.686332D+00
      5   0.289083D+01 -0.976490D+01  0.124541D+00 -0.119726D+01  0.687852D+01
      6  -0.408160D+01 -0.273442D+01 -0.248137D+01  0.833089D+00 -0.266152D+00
               121           122           123           124           125 
      1  -0.853222D+01 -0.180934D+02  0.519880D+01 -0.161328D+01  0.217521D+01
      2  -0.980330D-01  0.307197D+02 -0.419135D+01  0.125717D+01 -0.731194D+00
      3   0.863025D+01 -0.126263D+02 -0.100744D+01  0.356112D+00 -0.144402D+01
      4   0.165096D+02 -0.479401D+02  0.543926D+01 -0.620123D+00  0.467839D+01
      5  -0.106521D+01  0.519058D+01 -0.109115D+02  0.959175D+01 -0.610344D+01
      6   0.222731D+01 -0.109607D+02  0.631252D+01 -0.190160D+01  0.664824D+01
               126           127           128           129           130 
      1  -0.340608D+00  0.106612D+03 -0.142047D+02  0.205080D+02 -0.253816D+02
      2   0.408061D+00 -0.637103D+02  0.725487D+01 -0.172221D+02  0.146286D+02
      3  -0.674532D-01 -0.429019D+02  0.694980D+01 -0.328587D+01  0.107530D+02
      4  -0.650548D+01 -0.207140D+02  0.158207D+02 -0.401056D+01  0.210757D+02
      5   0.441545D+01  0.605117D+02 -0.694756D+01  0.279779D+02 -0.175519D+02
      6  -0.234629D+01 -0.824633D+01  0.630689D+01 -0.196357D+01  0.782214D+01
               131           132           133           134           135 
      1   0.119049D+02 -0.378719D+01  0.100758D+02 -0.513310D+00  0.769734D+01
      2  -0.454412D+01  0.537854D+01 -0.962923D+01  0.192269D+01 -0.829446D+01
      3  -0.736081D+01 -0.159135D+01 -0.446567D+00 -0.140938D+01  0.597121D+00
      4  -0.570349D+01  0.492696D+01 -0.275589D+01  0.166848D+01 -0.524430D+01
      5   0.737173D+01 -0.109951D+02  0.189720D+02 -0.525939D+01  0.920327D+01
      6  -0.203596D+01  0.327534D+01 -0.248962D+01  0.153669D+01 -0.235325D+01
               136           137           138           139           140 
      1  -0.753712D+01 -0.513972D+01  0.244986D+02 -0.697989D+01 -0.764502D+01
      2  -0.851570D+00  0.163116D+01  0.179293D+01  0.448209D+01  0.144018D+01
      3   0.838869D+01  0.350856D+01 -0.262916D+02  0.249780D+01  0.620485D+01
      4  -0.399506D+01 -0.301072D+01  0.130723D+01  0.136853D+01 -0.369323D+00
      5   0.174806D+01 -0.102088D+01 -0.121114D+02 -0.486630D+01  0.575435D+01
      6  -0.277663D+01 -0.374016D+01  0.241335D+01 -0.297334D+00 -0.267348D+01
               141           142           143           144           145 
      1   0.792960D+01  0.111350D+02  0.470824D+01 -0.425744D+02  0.920246D+01
      2   0.302050D+01 -0.326774D+01  0.155747D+01 -0.146040D+02 -0.235451D+01
      3  -0.109501D+02 -0.786721D+01 -0.626570D+01  0.571784D+02 -0.684795D+01
      4   0.783424D+01 -0.137809D+00  0.659445D+01 -0.788094D+01  0.710153D+01
      5  -0.115220D+02  0.450886D+01 -0.539131D+01  0.414558D+02  0.417494D+01
      6   0.942842D+01 -0.151084D+00  0.736429D+01 -0.765104D+01  0.234232D+01
               146           147           148           149           150 
      1   0.606396D+01  0.418848D+01  0.120548D+02 -0.477171D+01 -0.138237D+01
      2  -0.242526D+01 -0.218669D+00 -0.620713D+01  0.146837D+02 -0.276461D+01
      3  -0.363870D+01 -0.396981D+01 -0.584768D+01 -0.991199D+01  0.414698D+01
      4   0.731719D+01  0.875402D+00  0.150847D+02  0.529172D+02  0.909435D+01
      5   0.260537D+01 -0.519822D+00  0.114451D+02  0.937268D+01  0.135362D+02
      6   0.194731D+01  0.249508D+00  0.563752D+01  0.252964D+02  0.826402D+01
               151           152           153           154           155 
      1  -0.126869D+01 -0.144714D+01 -0.590366D+01  0.199441D+03  0.224922D+02
      2   0.208749D+01 -0.117703D+01  0.200943D+01 -0.955386D+02 -0.867288D+01
      3  -0.818796D+00  0.262417D+01  0.389423D+01 -0.103903D+03 -0.138193D+02
      4   0.890381D+00  0.795388D+00  0.499248D+01  0.224982D+02  0.343143D+02
      5  -0.126139D+01  0.508522D+01  0.636451D-01 -0.371765D+02 -0.430892D+01
      6   0.105971D+01  0.490719D+01  0.224753D+01 -0.488898D+01 -0.546961D+01
               156           157           158           159           160 
      1  -0.898178D+01  0.317431D+02  0.339967D+02 -0.190086D+01 -0.120004D+02
      2   0.919114D+01 -0.136690D+02 -0.127673D+02  0.203587D+01  0.109576D+02
      3  -0.209355D+00 -0.180741D+02 -0.212294D+02 -0.135013D+00  0.104280D+01
      4  -0.145019D+01  0.474988D+02  0.250428D+02 -0.406310D+01 -0.344051D+01
      5   0.355337D+02 -0.867385D+01 -0.850006D+01  0.898425D+01  0.384966D+02
      6  -0.292871D+00 -0.938414D+01 -0.496580D+01  0.504082D+01  0.207137D+01
               161           162           163           164           165 
      1  -0.182704D+01  0.225481D+02  0.453455D+02  0.378182D+01 -0.162227D+02
      2   0.147647D+01 -0.158691D+02 -0.325937D+02 -0.141295D+01  0.966489D+01
      3   0.350569D+00 -0.667904D+01 -0.127518D+02 -0.236887D+01  0.655785D+01
      4  -0.187496D+01  0.530424D+01 -0.121077D+01  0.730950D+01  0.334595D+01
      5   0.710604D+01 -0.767847D+01 -0.329207D+02  0.125872D+01  0.175361D+02
      6   0.450617D+01 -0.181406D+01  0.299589D+00 -0.141334D+01 -0.672766D+00
               166           167           168           169           170 
      1   0.121411D+02 -0.900271D+01 -0.340533D+01  0.965156D+00 -0.284852D+01
      2  -0.617688D+01  0.331798D+01  0.239461D+01  0.214362D+01  0.536685D+00
      3  -0.596423D+01  0.568473D+01  0.101072D+01 -0.310877D+01  0.231183D+01
      4   0.328023D+01 -0.493789D+01 -0.115346D+02  0.454239D+01 -0.554064D+01
      5  -0.397246D+01 -0.109043D+02 -0.818905D+00  0.151634D+02 -0.652294D+01
      6  -0.845958D+00  0.458697D+01  0.120007D+02 -0.355294D+01  0.115805D+02
               171           172           173           174           175 
      1  -0.325550D+02 -0.469864D+02 -0.543435D+01 -0.501692D+01 -0.928159D+01
      2  -0.113036D+02  0.296922D+02  0.283007D+01 -0.442812D+01  0.562196D+01
      3   0.438586D+02  0.172942D+02  0.260428D+01  0.944504D+01  0.365963D+01
      4  -0.794542D+01  0.176816D+01 -0.433306D+01 -0.248736D+01  0.928812D+00
      5  -0.432424D+02  0.249810D+02 -0.105113D+01 -0.138280D+02  0.274681D+01
      6   0.951988D+01  0.536097D+00  0.378162D+01  0.332703D+01  0.474496D+00
               176           177           178           179           180 
      1  -0.560396D+01 -0.183481D+01  0.950185D+01 -0.457917D+00 -0.866843D+01
      2   0.398206D+01  0.630757D+00 -0.112648D+02  0.124508D+00  0.487917D+01
      3   0.162190D+01  0.120405D+01  0.176299D+01  0.333409D+00  0.378927D+01
      4  -0.208043D+01 -0.296545D+01 -0.156071D+01  0.520612D+00  0.775207D+00
      5  -0.209672D+01 -0.199610D+01 -0.117302D+02  0.404150D+00  0.374231D+01
      6   0.216762D+01  0.331433D+01  0.278328D+01  0.782453D+00  0.937599D-01
               181           182           183           184           185 
      1  -0.145904D+01 -0.539918D+02  0.319344D+01  0.916381D+02  0.270040D+02
      2   0.252476D+01  0.380157D+02  0.200641D+00 -0.651506D+02 -0.237934D+02
      3  -0.106572D+01  0.159761D+02 -0.339408D+01 -0.264876D+02 -0.321060D+01
      4  -0.183341D+02  0.435379D+02 -0.664644D+01  0.144847D+02 -0.398815D+02
      5  -0.526920D+01 -0.875263D+01  0.201432D+02  0.549771D+01  0.809551D+01
      6  -0.411941D+01 -0.234467D+01  0.117999D+02  0.638220D+01  0.284654D+01
               186           187           188           189           190 
      1   0.295017D+01 -0.139629D+02 -0.883519D+01  0.414718D+01  0.154090D+03
      2  -0.215544D+01  0.126587D+02  0.719860D+01 -0.926842D+01 -0.792991D+02
      3  -0.794732D+00  0.130412D+01  0.163658D+01  0.512123D+01 -0.747905D+02
      4   0.832418D+01 -0.250292D+01  0.107211D+02  0.160058D+02 -0.125389D+01
      5   0.979558D+01  0.315153D+02  0.148226D+02 -0.248335D+01 -0.208547D+01
      6   0.276751D+01  0.157361D+02  0.812586D+01  0.301305D+01 -0.102013D+01
               191           192           193           194           195 
      1   0.216528D+02  0.680458D+01 -0.499426D+02 -0.243211D+02  0.150094D+01
      2  -0.101828D+02 -0.272745D+01  0.436450D+02  0.294561D+02 -0.376085D+01
      3  -0.114700D+02 -0.407713D+01  0.629766D+01 -0.513506D+01  0.225991D+01
      4   0.358497D+02 -0.221111D+01 -0.167032D+02  0.610320D+02 -0.823110D+01
      5  -0.198817D+01  0.841276D+01  0.429931D+01 -0.799919D+01 -0.110376D+01
      6  -0.273957D+01 -0.507466D+01 -0.684607D+01 -0.395493D+01 -0.526906D+01
               196           197           198           199           200 
      1   0.988236D+01  0.671522D+01  0.249440D+02 -0.116770D+03 -0.163852D+01
      2  -0.788260D+01 -0.560422D+01 -0.225125D+02  0.454793D+02 -0.448760D+01
      3  -0.199976D+01 -0.111100D+01 -0.243148D+01  0.712905D+02  0.612611D+01
      4   0.777658D+01 -0.371699D+01 -0.131835D+01 -0.233850D+01 -0.346750D+02
      5   0.522096D+02  0.332675D+01  0.408705D+01 -0.198025D+01  0.802654D+01
      6  -0.203184D+01  0.459938D+01  0.161142D+01  0.677668D+01  0.230434D-01
               201           202           203           204           205 
      1  -0.685389D+01 -0.747596D+02 -0.473376D+01 -0.608578D+01 -0.724308D-01
      2   0.340214D+01  0.467950D+02 -0.114582D+02  0.569398D+01 -0.225695D+01
      3   0.345175D+01  0.279646D+02  0.161920D+02  0.391802D+00  0.232938D+01
      4   0.589909D+01  0.168736D+01 -0.181247D+02 -0.232473D+01  0.220743D+01
      5   0.183780D+01 -0.141736D+01 -0.295423D+01 -0.126950D+02  0.241034D+01
      6   0.127723D+01 -0.147084D+01  0.634527D+01  0.729922D+01 -0.182646D+01
               206           207           208           209           210 
      1   0.888476D+00 -0.213576D+02 -0.226332D+02 -0.309583D+02 -0.236436D+01
      2   0.358181D+01  0.265051D+01  0.100141D+02  0.157968D+02 -0.459487D+00
      3  -0.447029D+01  0.187070D+02  0.126192D+02  0.151615D+02  0.282385D+01
      4  -0.786994D+01 -0.222321D+02 -0.242846D+02  0.970678D+01 -0.593652D-01
      5  -0.245132D+02  0.409074D+01  0.234073D+01  0.253455D+00  0.269491D+02
      6   0.164136D+02 -0.109469D+01 -0.574257D-01  0.237894D+01  0.408777D+01
               211           212           213           214           215 
      1   0.877941D+01  0.115254D+02 -0.212827D+01 -0.459674D+01 -0.312448D+01
      2  -0.101374D+02 -0.277519D+01  0.178416D+01  0.126430D+01  0.252121D+01
      3   0.135802D+01 -0.875021D+01  0.344108D+00  0.333244D+01  0.603267D+00
      4   0.352877D+02 -0.197530D+02  0.476756D+01 -0.421438D+01  0.152102D+01
      5  -0.493127D+01  0.311922D+01  0.105341D+02  0.743522D+01 -0.524013D+01
      6   0.183577D+01 -0.483188D+00  0.752372D+01 -0.318259D+01  0.438611D+01
               216           217           218           219           220 
      1  -0.183510D+00 -0.459886D+02  0.529122D+02 -0.567096D+01  0.551586D+02
      2   0.110142D+01  0.259818D+02 -0.270206D+02  0.339898D+01 -0.245073D+02
      3  -0.917912D+00  0.200067D+02 -0.258917D+02  0.227198D+01 -0.306513D+02
      4  -0.619088D+01  0.528457D+02 -0.113227D+02  0.843673D+01 -0.404642D+02
      5   0.325044D+01 -0.675308D+01  0.871937D+01 -0.209006D+02  0.125043D+02
      6  -0.170563D+01  0.316306D+01 -0.401832D+00 -0.255250D+01 -0.287622D+01
               221           222           223           224           225 
      1  -0.160492D+02  0.162155D+02 -0.602590D+01  0.133413D+02 -0.115062D+02
      2   0.932292D+01 -0.696105D+01  0.196369D+01 -0.634000D+01  0.729488D+01
      3   0.672626D+01 -0.925442D+01  0.406221D+01 -0.700129D+01  0.421129D+01
      4  -0.211611D+02 -0.138092D+02  0.109840D+02 -0.970245D+01 -0.512022D+02
      5  -0.128585D+02 -0.771592D+02 -0.353609D+02 -0.524002D+02  0.164534D+02
      6  -0.390582D+01 -0.140315D+02 -0.102359D+02 -0.102829D+02 -0.124124D+01
               226           227           228           229           230 
      1  -0.437732D+01  0.125910D+02 -0.202107D+01  0.252699D+01 -0.512697D+02
      2   0.573641D+01 -0.113163D+02  0.137656D+01 -0.108536D+01  0.652214D+02
      3  -0.135909D+01 -0.127475D+01  0.644517D+00 -0.144163D+01 -0.139517D+02
      4   0.256909D+01  0.486983D+01  0.778228D-01  0.412219D+01  0.269857D+02
      5  -0.571654D+00  0.278414D+00  0.998417D+00 -0.257773D+00 -0.526390D+01
      6  -0.103590D+01  0.203563D+01 -0.153837D+01 -0.188083D+00 -0.988821D+01
               231           232           233           234           235 
      1   0.569152D+01 -0.916490D+00  0.670012D+01 -0.244016D+01  0.475829D+02
      2  -0.542188D+01  0.581704D+00 -0.722968D+01  0.300709D+01 -0.174154D+02
      3  -0.269644D+00  0.334786D+00  0.529552D+00 -0.566922D+00 -0.301675D+02
      4  -0.312427D+01  0.172392D+00 -0.283775D+01 -0.981028D+00  0.375670D+02
      5   0.295481D+01  0.153959D+01 -0.196313D+00  0.925084D-01 -0.861948D+00
      6   0.790552D+01 -0.112213D+00  0.360047D+01 -0.173179D+01  0.116776D+00
               236           237           238           239           240 
      1   0.164193D+02  0.147507D+01  0.229773D+02  0.114991D+02 -0.195935D+00
      2  -0.184830D+01 -0.683914D+00 -0.489370D+00  0.739801D+01  0.258324D+00
      3  -0.145710D+02 -0.791152D+00 -0.224879D+02 -0.188971D+02 -0.623894D-01
      4   0.271744D+02  0.690689D-01  0.408862D+02  0.387755D+02 -0.554667D+00
      5  -0.138313D+01  0.415855D+01 -0.312705D+01 -0.255088D+01  0.511141D+01
      6  -0.186853D+00  0.218901D+01 -0.124120D+01 -0.864941D+00  0.392055D+01
               241           242           243           244           245 
      1   0.167592D+01 -0.211409D+00 -0.777595D+00 -0.156036D+01 -0.545588D+01
      2  -0.171011D+01 -0.435943D+00  0.993654D+00  0.531963D+01 -0.149253D+01
      3   0.341935D-01  0.647352D+00 -0.216059D+00 -0.375927D+01  0.694841D+01
      4  -0.145416D+01 -0.151834D+01  0.206586D+01 -0.156266D+02  0.174166D+02
      5  -0.148493D+01  0.160827D+01 -0.595143D+00  0.128811D+01 -0.190600D+01
      6  -0.620601D+00  0.148350D+01 -0.423907D+00 -0.101946D+01  0.143730D+01
               246           247           248           249           250 
      1   0.138203D+00 -0.112839D+01 -0.205507D+02  0.242484D+01 -0.221394D+00
      2   0.212480D+00 -0.879273D+01  0.370347D+02 -0.308455D+01  0.804081D+00
      3  -0.350682D+00  0.992112D+01 -0.164841D+02  0.659707D+00 -0.582687D+00
      4  -0.268221D+01  0.245833D+02 -0.524919D+02  0.610326D+01 -0.361068D+01
      5   0.274283D+01 -0.206314D+01  0.360198D+01 -0.582434D+01  0.210917D+01
      6  -0.154372D+01  0.183062D+01 -0.523011D+01  0.691761D+01 -0.257790D+01
               251           252           253           254           255 
      1   0.143704D+01 -0.141745D+01  0.201628D+02  0.564434D+01 -0.178361D+02
      2  -0.323103D+01  0.296294D+01 -0.108602D+02 -0.259150D+01  0.887590D+01
      3   0.179398D+01 -0.154548D+01 -0.930257D+01 -0.305284D+01  0.896018D+01
      4   0.687357D+01 -0.186384D+01  0.686044D+01  0.560618D+01 -0.757362D+01
      5  -0.503152D+00  0.101837D+01 -0.210164D+02 -0.730698D+01  0.924877D+01
      6   0.303423D+01 -0.169822D+01 -0.310590D+01 -0.954876D+00  0.422836D+00
               256           257           258           259           260 
      1   0.186045D+02  0.112164D+02 -0.954638D+01 -0.491891D+02 -0.101840D+02
      2  -0.930761D+01 -0.351407D+01  0.384120D+01  0.284442D+02  0.498144D+01
      3  -0.929693D+01 -0.770231D+01  0.570518D+01  0.207449D+02  0.520255D+01
      4   0.258214D+02  0.252841D+02 -0.183126D+02 -0.200469D+02 -0.205956D+02
      5  -0.179846D+02 -0.189631D+02  0.316510D+02  0.434031D+02  0.287017D+02
      6  -0.341248D+01 -0.449632D+01  0.767795D+01  0.677832D+01  0.721910D+01
               261           262           263           264           265 
      1   0.165719D+02  0.698710D+01  0.623434D+01  0.146739D+02  0.211424D+02
      2  -0.155546D+02 -0.417824D+01 -0.303062D+01 -0.683122D+01 -0.110417D+02
      3  -0.101730D+01 -0.280886D+01 -0.320372D+01 -0.784271D+01 -0.101007D+02
      4   0.275101D+02  0.594088D+01  0.392127D+01  0.351227D+01  0.292371D+02
      5  -0.650946D+02  0.145791D+02  0.321360D+01  0.257602D+01  0.177668D+02
      6  -0.826165D+01  0.281152D+01  0.231874D+00 -0.407999D+00  0.641868D+01
               266           267           268           269           270 
      1   0.765793D+01  0.309751D+01  0.342636D+02  0.261123D+01  0.676954D+01
      2  -0.899860D+00 -0.226506D+01 -0.202331D+02 -0.250036D+01 -0.118732D+02
      3  -0.675807D+01 -0.832448D+00 -0.140306D+02 -0.110869D+00  0.510370D+01
      4   0.390707D+02  0.281916D+02  0.170516D+02  0.263256D+02  0.319734D+02
      5   0.276174D+02  0.378672D+02  0.346822D+02  0.322802D+02  0.498882D+02
      6   0.102678D+02  0.111456D+02  0.785660D+01  0.102952D+02  0.115914D+02
               271           272           273           274           275 
      1   0.170454D+03 -0.398110D+02  0.141998D+02 -0.785677D+02  0.308288D+02
      2  -0.875916D+02  0.200450D+02 -0.828491D+01  0.391173D+02 -0.138706D+02
      3  -0.828620D+02  0.197660D+02 -0.591490D+01  0.394504D+02 -0.169582D+02
      4  -0.471802D+02  0.243452D+02 -0.448252D+01  0.408366D+02 -0.294297D+02
      5   0.175254D+02 -0.440706D+01  0.182502D+02 -0.808414D+01  0.515555D+01
      6  -0.188107D+01  0.103063D+01 -0.107431D+01  0.195816D+01 -0.132292D+01
               276           277           278           279 
      1  -0.664121D+01  0.191385D+02 -0.492940D+01  0.183915D+02
      2   0.382287D+01 -0.112575D+02  0.285608D+01 -0.108364D+02
      3   0.281833D+01 -0.788094D+01  0.207331D+01 -0.755508D+01
      4   0.531271D+01 -0.578442D+01  0.474291D+01 -0.199809D+01
      5  -0.696524D+01  0.265638D+02 -0.179874D+01  0.551074D+01
      6   0.259388D+01 -0.177143D+01  0.298584D+01 -0.606747D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 02:55:28 2021, MaxMem=  5368709120 cpu:          146331.6 elap:           18311.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51738 -19.51631 -19.46208 -10.57506 -10.51780
 Alpha  occ. eigenvalues --  -10.50135 -10.47171 -10.46900 -10.46713 -10.46355
 Alpha  occ. eigenvalues --  -10.46290 -10.46185 -10.46088 -10.45856 -10.45759
 Alpha  occ. eigenvalues --  -10.44811 -10.43576  -1.24726  -1.22172  -1.15751
 Alpha  occ. eigenvalues --   -1.04183  -0.99570  -0.94802  -0.93202  -0.88859
 Alpha  occ. eigenvalues --   -0.88686  -0.83790  -0.79679  -0.77612  -0.74817
 Alpha  occ. eigenvalues --   -0.74325  -0.72662  -0.67048  -0.66251  -0.65232
 Alpha  occ. eigenvalues --   -0.62535  -0.60775  -0.60048  -0.59732  -0.58119
 Alpha  occ. eigenvalues --   -0.57440  -0.56506  -0.54691  -0.54406  -0.54064
 Alpha  occ. eigenvalues --   -0.53357  -0.52780  -0.51296  -0.50538  -0.48577
 Alpha  occ. eigenvalues --   -0.47639  -0.47526  -0.46395  -0.45328  -0.43965
 Alpha  occ. eigenvalues --   -0.43650  -0.43113  -0.40648  -0.38505  -0.34404
 Alpha  occ. eigenvalues --   -0.30971
 Alpha virt. eigenvalues --   -0.01998  -0.01152  -0.00829  -0.00098   0.00188
 Alpha virt. eigenvalues --    0.00461   0.00792   0.01077   0.01584   0.01841
 Alpha virt. eigenvalues --    0.02292   0.03296   0.03457   0.04071   0.04261
 Alpha virt. eigenvalues --    0.04763   0.05016   0.05759   0.05875   0.06499
 Alpha virt. eigenvalues --    0.06750   0.07355   0.07805   0.08476   0.08736
 Alpha virt. eigenvalues --    0.09021   0.09377   0.09697   0.10035   0.10134
 Alpha virt. eigenvalues --    0.10372   0.10977   0.11239   0.11728   0.12004
 Alpha virt. eigenvalues --    0.12235   0.12464   0.12789   0.13167   0.13388
 Alpha virt. eigenvalues --    0.13462   0.13637   0.13852   0.14217   0.14531
 Alpha virt. eigenvalues --    0.15240   0.15367   0.15930   0.16329   0.16717
 Alpha virt. eigenvalues --    0.17414   0.17989   0.18396   0.18508   0.18736
 Alpha virt. eigenvalues --    0.19121   0.19419   0.19761   0.20993   0.21658
 Alpha virt. eigenvalues --    0.22291   0.22541   0.23153   0.24207   0.24398
 Alpha virt. eigenvalues --    0.24858   0.25072   0.25469   0.25773   0.26165
 Alpha virt. eigenvalues --    0.26417   0.26659   0.26796   0.27117   0.27307
 Alpha virt. eigenvalues --    0.27826   0.27952   0.28360   0.28687   0.28947
 Alpha virt. eigenvalues --    0.29153   0.29589   0.29865   0.30565   0.30861
 Alpha virt. eigenvalues --    0.31131   0.31609   0.31962   0.32565   0.32586
 Alpha virt. eigenvalues --    0.33014   0.33440   0.33689   0.34013   0.34495
 Alpha virt. eigenvalues --    0.34811   0.34900   0.35667   0.35680   0.36219
 Alpha virt. eigenvalues --    0.36463   0.37147   0.37853   0.38125   0.38462
 Alpha virt. eigenvalues --    0.38592   0.39057   0.39770   0.40383   0.40769
 Alpha virt. eigenvalues --    0.41011   0.42133   0.42310   0.42667   0.42854
 Alpha virt. eigenvalues --    0.43144   0.43990   0.44539   0.44643   0.45121
 Alpha virt. eigenvalues --    0.45378   0.45968   0.46601   0.46789   0.47721
 Alpha virt. eigenvalues --    0.47988   0.48314   0.48765   0.49746   0.50287
 Alpha virt. eigenvalues --    0.50777   0.51062   0.51796   0.52017   0.52274
 Alpha virt. eigenvalues --    0.52749   0.53494   0.53873   0.54304   0.54606
 Alpha virt. eigenvalues --    0.55442   0.56037   0.56417   0.56615   0.56764
 Alpha virt. eigenvalues --    0.57062   0.57084   0.57411   0.58117   0.59053
 Alpha virt. eigenvalues --    0.59775   0.59897   0.60342   0.60792   0.60939
 Alpha virt. eigenvalues --    0.61133   0.61707   0.62155   0.62491   0.62658
 Alpha virt. eigenvalues --    0.62915   0.63525   0.64023   0.64662   0.65383
 Alpha virt. eigenvalues --    0.65590   0.66247   0.66594   0.66744   0.67191
 Alpha virt. eigenvalues --    0.67506   0.67855   0.68428   0.69243   0.69594
 Alpha virt. eigenvalues --    0.69782   0.70112   0.70596   0.70720   0.71339
 Alpha virt. eigenvalues --    0.71962   0.72465   0.72941   0.73211   0.73466
 Alpha virt. eigenvalues --    0.73971   0.74581   0.75321   0.75800   0.76202
 Alpha virt. eigenvalues --    0.76881   0.77213   0.78250   0.78667   0.79529
 Alpha virt. eigenvalues --    0.79900   0.80406   0.81163   0.81676   0.81726
 Alpha virt. eigenvalues --    0.81984   0.82817   0.83400   0.83574   0.84071
 Alpha virt. eigenvalues --    0.84602   0.84877   0.85613   0.86029   0.86576
 Alpha virt. eigenvalues --    0.87535   0.88504   0.88929   0.89283   0.89762
 Alpha virt. eigenvalues --    0.90259   0.90665   0.91129   0.92126   0.92295
 Alpha virt. eigenvalues --    0.92837   0.94444   0.94689   0.96128   0.96377
 Alpha virt. eigenvalues --    0.97989   0.99086   0.99259   0.99797   1.00791
 Alpha virt. eigenvalues --    1.01717   1.01973   1.03621   1.04751   1.05141
 Alpha virt. eigenvalues --    1.05479   1.06957   1.09045   1.09646   1.10226
 Alpha virt. eigenvalues --    1.11041   1.11644   1.12250   1.13125   1.13996
 Alpha virt. eigenvalues --    1.15688   1.16176   1.16369   1.17642   1.18515
 Alpha virt. eigenvalues --    1.18660   1.20445   1.20817   1.21972   1.23609
 Alpha virt. eigenvalues --    1.23833   1.24439   1.26274   1.26632   1.28047
 Alpha virt. eigenvalues --    1.29364   1.30495   1.31109   1.33168   1.33667
 Alpha virt. eigenvalues --    1.34429   1.35335   1.36401   1.38175   1.38598
 Alpha virt. eigenvalues --    1.38862   1.39303   1.40067   1.42110   1.43052
 Alpha virt. eigenvalues --    1.43774   1.44687   1.44728   1.45471   1.45762
 Alpha virt. eigenvalues --    1.47369   1.47565   1.48429   1.50026   1.51451
 Alpha virt. eigenvalues --    1.51891   1.53038   1.53546   1.55100   1.55123
 Alpha virt. eigenvalues --    1.55941   1.56443   1.57090   1.58631   1.59036
 Alpha virt. eigenvalues --    1.59824   1.60086   1.60616   1.61917   1.62914
 Alpha virt. eigenvalues --    1.63596   1.64190   1.65194   1.65442   1.66669
 Alpha virt. eigenvalues --    1.66954   1.67307   1.68834   1.69527   1.70277
 Alpha virt. eigenvalues --    1.70802   1.71084   1.71559   1.72216   1.73555
 Alpha virt. eigenvalues --    1.73998   1.74810   1.75888   1.76158   1.77038
 Alpha virt. eigenvalues --    1.78332   1.79871   1.79984   1.80952   1.81203
 Alpha virt. eigenvalues --    1.81721   1.82884   1.83284   1.85024   1.86295
 Alpha virt. eigenvalues --    1.87206   1.87628   1.89390   1.90388   1.91051
 Alpha virt. eigenvalues --    1.91447   1.92980   1.93175   1.95284   1.96346
 Alpha virt. eigenvalues --    1.96872   1.97549   1.98322   1.99134   2.00558
 Alpha virt. eigenvalues --    2.00728   2.01725   2.01895   2.02378   2.02942
 Alpha virt. eigenvalues --    2.03878   2.04522   2.05633   2.05845   2.07028
 Alpha virt. eigenvalues --    2.07533   2.08536   2.09249   2.09646   2.10350
 Alpha virt. eigenvalues --    2.10965   2.11325   2.12605   2.14073   2.14629
 Alpha virt. eigenvalues --    2.15987   2.16297   2.16943   2.19032   2.19632
 Alpha virt. eigenvalues --    2.20216   2.20585   2.22552   2.23041   2.23844
 Alpha virt. eigenvalues --    2.25081   2.26244   2.27550   2.28897   2.29600
 Alpha virt. eigenvalues --    2.30317   2.32285   2.32799   2.34418   2.34716
 Alpha virt. eigenvalues --    2.35803   2.38801   2.40008   2.40818   2.41391
 Alpha virt. eigenvalues --    2.42977   2.43922   2.44771   2.46863   2.49197
 Alpha virt. eigenvalues --    2.49431   2.51569   2.54557   2.56098   2.57046
 Alpha virt. eigenvalues --    2.59920   2.60274   2.61676   2.63919   2.65489
 Alpha virt. eigenvalues --    2.66174   2.68305   2.69177   2.69505   2.72319
 Alpha virt. eigenvalues --    2.75540   2.76681   2.79717   2.81117   2.82208
 Alpha virt. eigenvalues --    2.83906   2.85655   2.89086   2.91272   2.93311
 Alpha virt. eigenvalues --    2.96611   2.97997   3.00371   3.01570   3.07031
 Alpha virt. eigenvalues --    3.14728   3.19879   3.24009   3.27973   3.37248
 Alpha virt. eigenvalues --    3.41718   3.44384   3.48155   3.48469   3.48770
 Alpha virt. eigenvalues --    3.50490   3.52266   3.53047   3.54321   3.56220
 Alpha virt. eigenvalues --    3.58630   3.60121   3.61036   3.63633   3.70507
 Alpha virt. eigenvalues --    3.81188   3.82240   3.85750   3.87754   3.96118
 Alpha virt. eigenvalues --    4.06157   4.42107   4.64917
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   60.910393 -17.145836 -17.286104   5.322687  -4.448037   5.363456
     2  C  -17.145836  60.043375   4.541717  -0.754298   7.166366 -13.425790
     3  C  -17.286104   4.541717  56.119541 -21.712239   0.862130  -6.546158
     4  C    5.322687  -0.754298 -21.712239  36.953180 -10.474439   6.295611
     5  C   -4.448037   7.166366   0.862130 -10.474439  41.746509 -23.487081
     6  C    5.363456 -13.425790  -6.546158   6.295611 -23.487081  48.495089
     7  C  -11.912280 -10.442763  -2.389686  -4.591869  -0.375012  -1.977644
     8  H    1.747152  -0.692607  -5.252709   1.639576   0.488523  -0.196386
     9  H   -0.047299  -0.674578   0.164156   1.153871  -4.251929   2.082284
    10  H   -0.637076   1.541847  -0.016578  -0.801846   2.496609  -4.680071
    11  C    1.025470  -1.713705  -0.235038  -6.965560  -3.341526   1.883056
    12  C    0.197745  -0.068796  -0.323696  -0.067756  -0.629275   0.041803
    13  C   -0.037709   0.002638  -0.509981   0.479075  -0.504444  -0.087821
    14  H   -0.031704  -0.001657  -0.448971   1.529897  -0.103784  -0.075905
    15  H    0.019654   0.053462  -0.330190   1.141867   0.008601  -0.065426
    16  H   -0.026076  -0.009310   0.320281  -0.939447   0.101545   0.009403
    17  H    0.063521  -0.106152   0.048128  -0.195975  -0.293398   0.163185
    18  O    0.007257   0.012729  -0.023059   0.158813   0.064648  -0.007767
    19  O    0.046606   0.000369  -0.022362  -0.071547  -0.012607  -0.013879
    20  H    0.012077  -0.040911  -0.002467   0.113719  -0.108278   0.053384
    21  C    2.164743 -14.112142  -3.491762   0.534407  -0.352667  -0.293693
    22  C  -12.467079  -0.474306  -0.226460  -0.215979   0.437963  -0.873517
    23  C   -9.516880 -10.555099  -0.089003  -1.714432   1.179246  -9.287222
    24  O    0.210090  -0.391724   0.003160   0.000969  -0.047309  -0.039439
    25  C   -0.018190   0.115567  -0.033794   0.028691  -0.025668   0.047194
    26  H    2.414428  -0.280012  -0.086115   0.175373  -0.035781  -0.044568
    27  H   -0.312483   0.096597  -0.190227   0.018713   0.016075   0.034368
    28  H   -0.164388   2.501621  -0.118362   0.117687   0.129013   0.715602
    29  H   -0.001385  -0.075820  -0.001868   0.000600   0.000391   0.007055
    30  H   -0.006958  -0.065232  -0.003166   0.001280   0.000253   0.005550
    31  H   -0.007156   0.124511  -0.000823   0.002452  -0.003986  -0.003012
               7          8          9         10         11         12
     1  C  -11.912280   1.747152  -0.047299  -0.637076   1.025470   0.197745
     2  C  -10.442763  -0.692607  -0.674578   1.541847  -1.713705  -0.068796
     3  C   -2.389686  -5.252709   0.164156  -0.016578  -0.235038  -0.323696
     4  C   -4.591869   1.639576   1.153871  -0.801846  -6.965560  -0.067756
     5  C   -0.375012   0.488523  -4.251929   2.496609  -3.341526  -0.629275
     6  C   -1.977644  -0.196386   2.082284  -4.680071   1.883056   0.041803
     7  C   62.285122   0.695906   0.056578  -0.278882   0.223181   0.061990
     8  H    0.695906   3.280841  -0.047674   0.012066   0.242293   0.029596
     9  H    0.056578  -0.047674   3.583134  -0.292897   0.338630   0.058948
    10  H   -0.278882   0.012066  -0.292897   2.844989  -0.076148   0.019806
    11  C    0.223181   0.242293   0.338630  -0.076148  18.118703   0.439343
    12  C    0.061990   0.029596   0.058948   0.019806   0.439343   5.022287
    13  C    0.013697   0.005073   0.031743   0.007933  -1.793079  -0.225062
    14  H    0.025131  -0.141867  -0.012923  -0.002460  -1.910833   0.081738
    15  H   -0.013350   0.006711   0.026141  -0.001692  -0.528786  -0.003756
    16  H   -0.015444   0.010489   0.013296  -0.000667   0.716275   0.057036
    17  H    0.038535  -0.001904  -0.092346   0.008955  -0.109058   0.512709
    18  O   -0.001462   0.003989  -0.003744   0.000039  -0.364402   0.030543
    19  O    0.003658   0.001762   0.005416  -0.000376   0.285140   0.011154
    20  H    0.028788  -0.018830   0.005969  -0.002361  -0.175514  -0.006586
    21  C   -9.183579   0.220979  -0.033683   0.112447   0.157483   0.012883
    22  C    2.144754  -0.038126   0.043989   0.213627   0.050220   0.017223
    23  C  -14.869946   0.040963  -0.148995   1.445109  -0.683085  -0.090525
    24  O   -0.153231   0.001344  -0.000024  -0.005815   0.000131  -0.000239
    25  C   -0.158244  -0.002000  -0.000749   0.000338   0.001354   0.000251
    26  H   -3.913327  -0.163995   0.003216   0.000613   0.024136   0.004516
    27  H    0.942593   0.005598  -0.001948   0.002629  -0.007569  -0.001112
    28  H    0.143998  -0.000584  -0.003258  -0.121082  -0.001214  -0.000812
    29  H    0.066573  -0.000462   0.000073  -0.000858   0.000352   0.000037
    30  H    0.061173  -0.000359   0.000082  -0.000938   0.000432   0.000043
    31  H   -0.037113  -0.000148  -0.000171   0.001746   0.000046   0.000017
              13         14         15         16         17         18
     1  C   -0.037709  -0.031704   0.019654  -0.026076   0.063521   0.007257
     2  C    0.002638  -0.001657   0.053462  -0.009310  -0.106152   0.012729
     3  C   -0.509981  -0.448971  -0.330190   0.320281   0.048128  -0.023059
     4  C    0.479075   1.529897   1.141867  -0.939447  -0.195975   0.158813
     5  C   -0.504444  -0.103784   0.008601   0.101545  -0.293398   0.064648
     6  C   -0.087821  -0.075905  -0.065426   0.009403   0.163185  -0.007767
     7  C    0.013697   0.025131  -0.013350  -0.015444   0.038535  -0.001462
     8  H    0.005073  -0.141867   0.006711   0.010489  -0.001904   0.003989
     9  H    0.031743  -0.012923   0.026141   0.013296  -0.092346  -0.003744
    10  H    0.007933  -0.002460  -0.001692  -0.000667   0.008955   0.000039
    11  C   -1.793079  -1.910833  -0.528786   0.716275  -0.109058  -0.364402
    12  C   -0.225062   0.081738  -0.003756   0.057036   0.512709   0.030543
    13  C    7.901974   0.132073  -0.014315  -0.085105   0.004972   0.618119
    14  H    0.132073   2.353449  -0.026982  -0.103986   0.121200   0.049330
    15  H   -0.014315  -0.026982   1.758277  -0.418505  -0.410650  -0.010805
    16  H   -0.085105  -0.103986  -0.418505   1.807148  -0.304153   0.017143
    17  H    0.004972   0.121200  -0.410650  -0.304153   1.739568   0.024311
    18  O    0.618119   0.049330  -0.010805   0.017143   0.024311   7.715944
    19  O   -0.091543  -0.001145  -0.006807   0.008375   0.009956  -0.064256
    20  H    0.046309   0.022427   0.000118  -0.002126  -0.001470   0.000725
    21  C   -0.007735   0.024840  -0.002287   0.000364   0.005017   0.000293
    22  C    0.012041   0.003432   0.001316   0.001752  -0.002285  -0.000125
    23  C   -0.061385  -0.041292   0.004771  -0.004658  -0.042270   0.001016
    24  O   -0.000181  -0.000104  -0.000018   0.000009  -0.000006   0.000000
    25  C    0.000067   0.000049   0.000000   0.000066   0.000071   0.000001
    26  H    0.005615   0.012398   0.000361  -0.001845   0.000310  -0.000127
    27  H   -0.001394   0.000192  -0.000051   0.000045  -0.000073   0.000039
    28  H   -0.000564   0.000509   0.000263  -0.000417  -0.000683   0.000061
    29  H    0.000041   0.000014   0.000004  -0.000001   0.000000  -0.000001
    30  H    0.000040   0.000002   0.000003   0.000002  -0.000002  -0.000001
    31  H    0.000004   0.000011  -0.000001   0.000006   0.000011   0.000000
              19         20         21         22         23         24
     1  C    0.046606   0.012077   2.164743 -12.467079  -9.516880   0.210090
     2  C    0.000369  -0.040911 -14.112142  -0.474306 -10.555099  -0.391724
     3  C   -0.022362  -0.002467  -3.491762  -0.226460  -0.089003   0.003160
     4  C   -0.071547   0.113719   0.534407  -0.215979  -1.714432   0.000969
     5  C   -0.012607  -0.108278  -0.352667   0.437963   1.179246  -0.047309
     6  C   -0.013879   0.053384  -0.293693  -0.873517  -9.287222  -0.039439
     7  C    0.003658   0.028788  -9.183579   2.144754 -14.869946  -0.153231
     8  H    0.001762  -0.018830   0.220979  -0.038126   0.040963   0.001344
     9  H    0.005416   0.005969  -0.033683   0.043989  -0.148995  -0.000024
    10  H   -0.000376  -0.002361   0.112447   0.213627   1.445109  -0.005815
    11  C    0.285140  -0.175514   0.157483   0.050220  -0.683085   0.000131
    12  C    0.011154  -0.006586   0.012883   0.017223  -0.090525  -0.000239
    13  C   -0.091543   0.046309  -0.007735   0.012041  -0.061385  -0.000181
    14  H   -0.001145   0.022427   0.024840   0.003432  -0.041292  -0.000104
    15  H   -0.006807   0.000118  -0.002287   0.001316   0.004771  -0.000018
    16  H    0.008375  -0.002126   0.000364   0.001752  -0.004658   0.000009
    17  H    0.009956  -0.001470   0.005017  -0.002285  -0.042270  -0.000006
    18  O   -0.064256   0.000725   0.000293  -0.000125   0.001016   0.000000
    19  O    7.943641   0.227496  -0.000238   0.002884  -0.013381  -0.000016
    20  H    0.227496   0.690744  -0.002910   0.005365  -0.019249  -0.000082
    21  C   -0.000238  -0.002910  33.205951  -4.571345   1.672352   0.801089
    22  C    0.002884   0.005365  -4.571345  27.061595  -5.387374  -0.573859
    23  C   -0.013381  -0.019249   1.672352  -5.387374  58.085511   0.231909
    24  O   -0.000016  -0.000082   0.801089  -0.573859   0.231909   8.457007
    25  C    0.000025   0.000109   0.006166   0.088727  -0.276393   0.205084
    26  H    0.000216   0.000486   1.577212  -0.389628   0.006975   0.002136
    27  H   -0.000073  -0.000291  -2.917571   1.142027   0.238499  -0.123648
    28  H    0.000021   0.000252  -0.370964   0.420419  -3.984919  -0.096802
    29  H    0.000004   0.000007   0.037731  -0.307477   0.160572   0.135191
    30  H    0.000002   0.000022   0.029320  -0.289133   0.155838   0.130938
    31  H    0.000002   0.000011  -0.119509   0.697988  -0.374465  -0.459098
              25         26         27         28         29         30
     1  C   -0.018190   2.414428  -0.312483  -0.164388  -0.001385  -0.006958
     2  C    0.115567  -0.280012   0.096597   2.501621  -0.075820  -0.065232
     3  C   -0.033794  -0.086115  -0.190227  -0.118362  -0.001868  -0.003166
     4  C    0.028691   0.175373   0.018713   0.117687   0.000600   0.001280
     5  C   -0.025668  -0.035781   0.016075   0.129013   0.000391   0.000253
     6  C    0.047194  -0.044568   0.034368   0.715602   0.007055   0.005550
     7  C   -0.158244  -3.913327   0.942593   0.143998   0.066573   0.061173
     8  H   -0.002000  -0.163995   0.005598  -0.000584  -0.000462  -0.000359
     9  H   -0.000749   0.003216  -0.001948  -0.003258   0.000073   0.000082
    10  H    0.000338   0.000613   0.002629  -0.121082  -0.000858  -0.000938
    11  C    0.001354   0.024136  -0.007569  -0.001214   0.000352   0.000432
    12  C    0.000251   0.004516  -0.001112  -0.000812   0.000037   0.000043
    13  C    0.000067   0.005615  -0.001394  -0.000564   0.000041   0.000040
    14  H    0.000049   0.012398   0.000192   0.000509   0.000014   0.000002
    15  H    0.000000   0.000361  -0.000051   0.000263   0.000004   0.000003
    16  H    0.000066  -0.001845   0.000045  -0.000417  -0.000001   0.000002
    17  H    0.000071   0.000310  -0.000073  -0.000683   0.000000  -0.000002
    18  O    0.000001  -0.000127   0.000039   0.000061  -0.000001  -0.000001
    19  O    0.000025   0.000216  -0.000073   0.000021   0.000004   0.000002
    20  H    0.000109   0.000486  -0.000291   0.000252   0.000007   0.000022
    21  C    0.006166   1.577212  -2.917571  -0.370964   0.037731   0.029320
    22  C    0.088727  -0.389628   1.142027   0.420419  -0.307477  -0.289133
    23  C   -0.276393   0.006975   0.238499  -3.984919   0.160572   0.155838
    24  O    0.205084   0.002136  -0.123648  -0.096802   0.135191   0.130938
    25  C    4.254519   0.016173  -0.109231   0.037413   0.358748   0.356225
    26  H    0.016173   2.694093  -0.208767   0.010731   0.004071   0.003840
    27  H   -0.109231  -0.208767   3.399007  -0.033530  -0.053092  -0.050796
    28  H    0.037413   0.010731  -0.033530   2.599986   0.010000   0.010476
    29  H    0.358748   0.004071  -0.053092   0.010000   1.336939  -0.102447
    30  H    0.356225   0.003840  -0.050796   0.010476  -0.102447   1.336461
    31  H    0.212713  -0.001459   0.025351  -0.014007  -0.460484  -0.458566
              31
     1  C   -0.007156
     2  C    0.124511
     3  C   -0.000823
     4  C    0.002452
     5  C   -0.003986
     6  C   -0.003012
     7  C   -0.037113
     8  H   -0.000148
     9  H   -0.000171
    10  H    0.001746
    11  C    0.000046
    12  C    0.000017
    13  C    0.000004
    14  H    0.000011
    15  H   -0.000001
    16  H    0.000006
    17  H    0.000011
    18  O    0.000000
    19  O    0.000002
    20  H    0.000011
    21  C   -0.119509
    22  C    0.697988
    23  C   -0.374465
    24  O   -0.459098
    25  C    0.212713
    26  H   -0.001459
    27  H    0.025351
    28  H   -0.014007
    29  H   -0.460484
    30  H   -0.458566
    31  H    2.249015
 Mulliken charges:
               1
     1  C    0.561359
     2  C    0.829939
     3  C    3.281705
     4  C   -1.163081
     5  C   -0.202651
     6  C    1.908340
     7  C   -0.477846
     8  H   -0.875211
     9  H   -0.955308
    10  H   -0.789006
    11  C    0.399272
    12  C    0.817943
    13  C    0.158904
    14  H   -0.453081
    15  H   -0.187928
    16  H   -0.151493
    17  H   -0.180024
    18  O   -0.229251
    19  O   -0.248495
    20  H    0.173064
    21  C    0.896808
    22  C   -0.528628
    23  C   -0.062189
    24  O   -0.287464
    25  C    0.894715
    26  H   -0.831273
    27  H   -0.909878
    28  H   -0.786465
    29  H   -0.114507
    30  H   -0.114383
    31  H   -0.373887
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.561359
     2  C    0.829939
     3  C    2.406494
     4  C   -1.163081
     5  C   -1.157959
     6  C    1.119334
     7  C   -1.309119
    11  C   -0.053808
    12  C    0.298498
    13  C    0.158904
    18  O   -0.229251
    19  O   -0.075431
    21  C   -0.013071
    22  C   -0.528628
    23  C   -0.848654
    24  O   -0.287464
    25  C    0.291938
 Electronic spatial extent (au):  <R**2>=           5621.8989
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.9307    Y=             -2.0688    Z=              1.9548  Tot=              6.5783
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -111.0083   YY=            -90.8068   ZZ=           -106.1057
   XY=              3.1464   XZ=             11.6176   YZ=             -0.7029
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.3680   YY=             11.8335   ZZ=             -3.4655
   XY=              3.1464   XZ=             11.6176   YZ=             -0.7029
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -276.6032  YYY=              1.6313  ZZZ=             -3.3603  XYY=              4.9835
  XXY=            -44.4879  XXZ=             46.8033  XZZ=             -5.9578  YZZ=             -1.8064
  YYZ=             -2.1641  XYZ=             -0.1374
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6411.2124 YYYY=           -593.3919 ZZZZ=           -492.7397 XXXY=             60.9533
 XXXZ=            253.1747 YYYX=             -6.4265 YYYZ=             -7.8146 ZZZX=             14.1501
 ZZZY=              1.8076 XXYY=          -1118.8818 XXZZ=          -1191.8770 YYZZ=           -199.3868
 XXYZ=              1.7577 YYXZ=             -5.5137 ZZXY=             -2.8999
 N-N= 1.131804836625D+03 E-N=-4.050263099547D+03  KE= 7.624626695796D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 02:55:29 2021, MaxMem=  5368709120 cpu:               5.8 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30124803D+00-7.69776061D-01 6.94496309D-01
 Polarizability= 2.85439360D+02 1.18831820D+01 1.55814840D+02
                 1.11858391D+01-3.58322302D+00 1.12258383D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -5.8211   -5.8184        7.2663    7.2676
 2      5.8211    5.8184        1.8725    1.8687      -69.5062  -69.5067
 3     -7.2663   -7.2676       93.0433   93.0292       -1.8767   -1.8687
 4     -1.8725   -1.8687        0.0000    0.0000       -7.2605   -7.2676
 5    -23.5372  -23.5225        7.2605    7.2676       -5.8196   -5.8184
 6      1.8767    1.8687        5.8196    5.8184        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       17.4551   17.4551       21.8028   21.8028
 2     -5.6060   -5.6060        0.0000    0.0000       21.8028   21.8028
 3     -5.6060   -5.6060       17.4551   17.4551       -0.0000    0.0000
 4     17.4551   17.4551        5.6060    5.6060     -208.5201 -208.5201
 5    -21.8028  -21.8028      279.0876  279.0876       -5.6060   -5.6060
 6    -70.5674  -70.5674       21.8028   21.8028      -17.4551  -17.4551
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0235    0.0000       23.2390   23.2735      -28.2127  -29.0704
 2    -22.8572  -23.2735       -7.3820   -7.4747      279.0883  278.0268
 3     28.9416   29.0704     -372.3377 -372.1168        7.4982    7.4747
 4      7.2248    7.4747       -0.0208    0.0000       29.4107   29.0704
 5     93.3440   94.0899      -29.3124  -29.0704       22.9473   23.2735
 6     -8.0288   -7.4747      -23.1929  -23.2735        0.0207    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1346    0.0000       16.2005   16.1320       19.9792   19.3359
 2    -14.7965  -16.1320       83.8599   84.7811      -39.7859  -35.8698
 3    -19.9771  -19.3359        4.1392    2.1469      -82.8806  -84.7811
 4    -84.2489  -84.7811       -0.2844    0.0000      -19.3098  -19.3359
 5     36.9257   33.7230       19.4050   19.3359       12.4195   16.1320
 6     85.1754   84.7811      -16.2549  -16.1320        0.1184    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -61.5545  -61.8693       -8.3307   -7.4451      -13.8320  -13.8782
 2   -203.1374 -204.2940        2.4639    3.1612      -13.4628  -13.8782
 3   -203.3345 -204.2940       -8.0612   -7.4451      -41.4540  -41.5789
 4    -10.5443  -10.6063      141.3477  142.4246      -35.5373  -35.8221
 5    -27.4508  -27.7007      -28.4339  -28.8862     -141.5023 -142.4246
 6     66.9388   64.7083       28.6191   27.7007       10.7912   10.6063
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4890   -1.7257   -0.0006    0.0008    0.0011    1.5985
 Low frequencies ---   27.6914   42.0774   50.3132
 Diagonal vibrational polarizability:
       50.8859867     104.3036288      49.6339502
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     27.6907                42.0773                50.3089
 Red. masses --      5.0562                 7.9050                 4.5123
 Frc consts  --      0.0023                 0.0082                 0.0067
 IR Inten    --      0.9793                 6.3711                 0.3352
 RamAct Fr= 1--      3.5557                 0.6487                 3.9064
  Dep-P Fr= 1--      0.7487                 0.6913                 0.7500
  Dep-U Fr= 1--      0.8563                 0.8175                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0000
 Beta2  Fr= 1--      0.5074                 0.0884                 0.5581
 AlphaG Fr= 1--      0.0021                 0.0114                -0.0001
 Gamma2 Fr= 1--      0.4313                -0.5883                 0.7962
 Delta2 Fr= 1--      0.2174                -0.1758                -0.0822
 Raman1 Fr= 1--      14.223                  2.595                 15.626
 ROA1   Fr= 1--      48.360                -62.105                 73.801
 CID1   Fr= 1--       3.400                -23.935                  4.723
 Raman2 Fr= 1--       6.089                  1.061                  6.697
 ROA2   Fr= 1--       8.612                -12.713                 19.765
 CID2   Fr= 1--       1.414                -11.987                  2.952
 Raman3 Fr= 1--      12.179                  2.121                 13.393
 ROA3   Fr= 1--      48.360                -62.105                 73.801
 CID3   Fr= 1--       3.971                -29.279                  5.510
 RC180  Fr= 1--       0.713                  0.635                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.03     0.00  -0.02   0.05    -0.01  -0.00   0.15
     2   6    -0.00  -0.03  -0.11     0.03  -0.02   0.04     0.01  -0.01   0.04
     3   6    -0.03  -0.04  -0.04    -0.00  -0.04   0.05    -0.01  -0.02   0.14
     4   6    -0.01  -0.06  -0.10     0.01  -0.06   0.03     0.00  -0.03   0.03
     5   6     0.01  -0.06  -0.18     0.04  -0.05   0.03     0.02  -0.04  -0.04
     6   6     0.01  -0.05  -0.19     0.04  -0.03   0.03     0.02  -0.03  -0.03
     7   6    -0.04  -0.00   0.06    -0.01   0.00   0.05    -0.02   0.01   0.23
     8   1    -0.04  -0.04   0.01    -0.02  -0.04   0.06    -0.02  -0.01   0.18
     9   1     0.02  -0.08  -0.23     0.05  -0.07   0.02     0.03  -0.05  -0.10
    10   1     0.03  -0.05  -0.24     0.06  -0.03   0.03     0.03  -0.03  -0.10
    11   6    -0.02  -0.06  -0.04     0.02  -0.06  -0.01     0.01  -0.05  -0.05
    12   6    -0.13  -0.15   0.07     0.03  -0.12   0.01     0.04  -0.13  -0.02
    13   6     0.07   0.07   0.05    -0.06   0.07  -0.03    -0.03   0.05  -0.05
    14   1    -0.01  -0.06  -0.13     0.02  -0.07  -0.08     0.02  -0.05  -0.13
    15   1    -0.13  -0.12   0.12     0.04  -0.12  -0.03     0.05  -0.11  -0.09
    16   1    -0.19  -0.24  -0.00     0.05  -0.17   0.00     0.08  -0.23  -0.02
    17   1    -0.17  -0.14   0.16     0.03  -0.12   0.06     0.00  -0.13   0.07
    18   8     0.05   0.13   0.17    -0.21   0.50  -0.08    -0.00  -0.01  -0.05
    19   8     0.19   0.12  -0.02     0.02  -0.32   0.00    -0.08   0.23  -0.05
    20   1     0.18   0.06  -0.11     0.09  -0.58   0.03    -0.09   0.25  -0.04
    21   6    -0.04   0.01   0.09    -0.00   0.02   0.02    -0.01   0.01   0.16
    22   6    -0.02   0.01   0.02     0.02   0.02  -0.00     0.01   0.00   0.01
    23   6    -0.00  -0.01  -0.08     0.04   0.01   0.01     0.02  -0.01  -0.02
    24   8    -0.02   0.02   0.05     0.03   0.05  -0.04     0.02  -0.00  -0.10
    25   6    -0.04   0.05   0.19     0.02   0.06  -0.10     0.03  -0.01  -0.23
    26   1    -0.05  -0.00   0.11    -0.03  -0.00   0.06    -0.04   0.02   0.33
    27   1    -0.05   0.03   0.16    -0.02   0.04   0.02    -0.02   0.03   0.21
    28   1     0.01  -0.02  -0.13     0.06   0.01  -0.00     0.03  -0.02  -0.13
    29   1     0.02   0.13   0.24    -0.04   0.05  -0.11    -0.12   0.03  -0.22
    30   1    -0.11  -0.01   0.24     0.06   0.06  -0.10     0.16  -0.04  -0.19
    31   1    -0.03   0.06   0.21     0.04   0.07  -0.15     0.04  -0.02  -0.39
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5110               125.0859               140.0679
 Red. masses --      3.8431                 5.1217                 4.1363
 Frc consts  --      0.0126                 0.0472                 0.0478
 IR Inten    --      4.2755                 0.0288                 0.2876
 RamAct Fr= 1--      0.9036                 0.6327                 1.2939
  Dep-P Fr= 1--      0.7318                 0.6367                 0.5376
  Dep-U Fr= 1--      0.8451                 0.7781                 0.6993
 Alpha2 Fr= 1--      0.0003                 0.0013                 0.0053
 Beta2  Fr= 1--      0.1273                 0.0820                 0.1508
 AlphaG Fr= 1--     -0.0065                 0.0092                 0.0113
 Gamma2 Fr= 1--     -0.1773                -0.7559                 1.8153
 Delta2 Fr= 1--      0.1411                -0.1686                 0.8409
 Raman1 Fr= 1--       3.614                  2.531                  5.176
 ROA1   Fr= 1--     -12.511                -77.957                201.174
 CID1   Fr= 1--      -3.462                -30.805                 38.869
 Raman2 Fr= 1--       1.527                  0.984                  1.810
 ROA2   Fr= 1--      -5.385                -16.792                 36.839
 CID2   Fr= 1--      -3.526                -17.057                 20.357
 Raman3 Fr= 1--       3.055                  1.969                  3.619
 ROA3   Fr= 1--     -12.511                -77.957                201.174
 CID3   Fr= 1--      -4.096                -39.593                 55.585
 RC180  Fr= 1--       0.690                  0.556                  0.399
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.02  -0.09  -0.08    -0.02  -0.10   0.06
     2   6     0.02  -0.02  -0.04     0.05  -0.09  -0.12    -0.01  -0.09   0.11
     3   6     0.01  -0.01   0.07     0.02  -0.09   0.03    -0.00  -0.11  -0.01
     4   6     0.01  -0.01   0.09     0.01  -0.08   0.08    -0.01  -0.10  -0.05
     5   6     0.01  -0.01   0.09     0.03  -0.10  -0.04    -0.02  -0.09   0.02
     6   6     0.02  -0.01   0.02     0.05  -0.10  -0.16    -0.02  -0.09   0.11
     7   6     0.01  -0.01  -0.01    -0.01  -0.06  -0.09    -0.06  -0.07   0.04
     8   1     0.00  -0.01   0.07     0.01  -0.09   0.08     0.01  -0.11  -0.04
     9   1     0.02  -0.01   0.12     0.04  -0.11  -0.06    -0.02  -0.09  -0.00
    10   1     0.03  -0.02  -0.00     0.06  -0.11  -0.24    -0.03  -0.08   0.16
    11   6     0.01  -0.02   0.04     0.03   0.00   0.10     0.03   0.03  -0.03
    12   6     0.07  -0.05   0.02     0.02   0.15   0.04    -0.06   0.24  -0.09
    13   6    -0.06   0.03  -0.00    -0.07   0.04   0.05     0.06   0.02  -0.03
    14   1     0.02  -0.02   0.01     0.12   0.01   0.16     0.15   0.04   0.06
    15   1     0.08  -0.04  -0.05     0.07   0.27  -0.00    -0.03   0.34  -0.00
    16   1     0.13  -0.09   0.04     0.11   0.13   0.08    -0.06   0.32  -0.07
    17   1     0.05  -0.05   0.06    -0.11   0.15  -0.02    -0.14   0.23  -0.23
    18   8    -0.06   0.02  -0.05    -0.07   0.04  -0.03     0.06   0.02   0.01
    19   8    -0.13   0.08   0.03    -0.18   0.12   0.09     0.10   0.03  -0.05
    20   1    -0.12   0.08   0.07    -0.16   0.10   0.16     0.09   0.02  -0.08
    21   6     0.02  -0.01  -0.08    -0.00  -0.02  -0.04    -0.05  -0.02   0.01
    22   6     0.03  -0.01  -0.13     0.03  -0.00   0.03    -0.01  -0.01  -0.00
    23   6     0.03  -0.02  -0.12     0.07  -0.05  -0.08     0.01  -0.05   0.10
    24   8     0.04  -0.01  -0.21     0.04   0.09   0.23     0.03   0.06  -0.14
    25   6    -0.01   0.04   0.26     0.01   0.12  -0.06    -0.06   0.18  -0.00
    26   1     0.00  -0.01   0.02    -0.04  -0.07  -0.11    -0.10  -0.08   0.02
    27   1     0.01  -0.01  -0.09    -0.03   0.01  -0.02    -0.08  -0.00  -0.04
    28   1     0.04  -0.02  -0.16     0.10  -0.04  -0.07     0.05  -0.04   0.12
    29   1     0.19   0.28   0.40    -0.06  -0.13  -0.21    -0.11   0.33   0.08
    30   1    -0.24  -0.16   0.41     0.03   0.34  -0.25    -0.16   0.05   0.10
    31   1    -0.01   0.06   0.32     0.04   0.19   0.05    -0.00   0.26  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.9601               207.1774               210.2077
 Red. masses --      3.0466                 1.6540                 1.5262
 Frc consts  --      0.0601                 0.0418                 0.0397
 IR Inten    --      1.1137                 1.1644                 0.7576
 RamAct Fr= 1--      0.2288                 3.0598                 3.0210
  Dep-P Fr= 1--      0.6528                 0.3554                 0.2058
  Dep-U Fr= 1--      0.7899                 0.5244                 0.3413
 Alpha2 Fr= 1--      0.0004                 0.0264                 0.0404
 Beta2  Fr= 1--      0.0301                 0.2674                 0.1718
 AlphaG Fr= 1--      0.0006                -0.0022                 0.0162
 Gamma2 Fr= 1--     -0.5597                -1.0279                -0.8610
 Delta2 Fr= 1--      0.0109                -0.5065                -0.2560
 Raman1 Fr= 1--       0.915                 12.239                 12.084
 ROA1   Fr= 1--     -53.382               -114.886                -90.849
 CID1   Fr= 1--     -58.322                 -9.387                 -7.518
 Raman2 Fr= 1--       0.362                  3.209                  2.062
 ROA2   Fr= 1--     -13.519                -20.618                -18.616
 CID2   Fr= 1--     -37.396                 -6.424                 -9.028
 Raman3 Fr= 1--       0.723                  6.419                  4.124
 ROA3   Fr= 1--     -53.382               -114.886                -90.849
 CID3   Fr= 1--     -73.831                -17.899                -22.029
 RC180  Fr= 1--       0.580                  0.049                 -0.317
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.14    -0.01  -0.01   0.03     0.01   0.01  -0.01
     2   6     0.01  -0.02  -0.12    -0.02  -0.02  -0.02     0.02   0.01   0.02
     3   6     0.02  -0.02  -0.19    -0.00   0.01   0.07    -0.00  -0.02  -0.04
     4   6     0.00   0.00  -0.00    -0.00   0.02   0.04    -0.00  -0.03  -0.03
     5   6    -0.02   0.02   0.19    -0.02   0.02   0.04     0.03  -0.02  -0.05
     6   6    -0.01   0.00   0.07    -0.03  -0.01   0.00     0.03   0.00  -0.01
     7   6    -0.01  -0.00   0.05    -0.02  -0.01   0.01     0.01   0.01  -0.01
     8   1     0.03  -0.03  -0.29     0.01   0.02   0.09    -0.01  -0.02  -0.04
     9   1    -0.04   0.05   0.41    -0.04   0.03   0.05     0.05  -0.04  -0.07
    10   1    -0.02   0.01   0.18    -0.04  -0.01  -0.01     0.05   0.00  -0.01
    11   6     0.00   0.01   0.01     0.01   0.01  -0.01    -0.02  -0.04   0.01
    12   6     0.01   0.02  -0.00     0.12  -0.02  -0.05    -0.07   0.02   0.00
    13   6    -0.00   0.00   0.00     0.02   0.00  -0.01    -0.04  -0.01   0.01
    14   1     0.00   0.01   0.01    -0.02   0.00  -0.01    -0.03  -0.03   0.04
    15   1    -0.01  -0.05   0.04    -0.03  -0.42   0.13    -0.22  -0.34   0.34
    16   1    -0.02   0.09  -0.00    -0.09   0.37  -0.05    -0.39   0.45  -0.05
    17   1     0.10   0.01  -0.05     0.58  -0.04  -0.27     0.36  -0.00  -0.28
    18   8    -0.00   0.00   0.00     0.02   0.01   0.03    -0.05   0.01   0.02
    19   8    -0.00  -0.00   0.01     0.06   0.01  -0.03    -0.06   0.03   0.01
    20   1    -0.00   0.00   0.01     0.06  -0.00  -0.05    -0.05   0.02   0.02
    21   6    -0.02   0.02   0.21    -0.02  -0.02  -0.03     0.02   0.02   0.01
    22   6    -0.00  -0.00   0.02    -0.03  -0.02  -0.03     0.03   0.02   0.02
    23   6     0.01  -0.02  -0.14    -0.02  -0.03  -0.07     0.02   0.03   0.06
    24   8     0.00   0.01   0.01    -0.03   0.01   0.05     0.03  -0.01  -0.03
    25   6    -0.01   0.02  -0.02    -0.06   0.05  -0.01     0.06  -0.05   0.01
    26   1    -0.02   0.01   0.14    -0.02  -0.01   0.03     0.01   0.01  -0.03
    27   1    -0.04   0.04   0.44    -0.02  -0.03  -0.04     0.02   0.02   0.00
    28   1     0.02  -0.03  -0.21    -0.02  -0.03  -0.09     0.02   0.03   0.08
    29   1    -0.20   0.20   0.07     0.01  -0.12  -0.10     0.03   0.06   0.07
    30   1     0.15  -0.14   0.14    -0.17   0.19  -0.15     0.14  -0.14   0.10
    31   1     0.02  -0.00  -0.31    -0.05   0.11   0.19     0.05  -0.10  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    234.4759               243.9082               277.4463
 Red. masses --      2.1305                 2.0906                 2.7934
 Frc consts  --      0.0690                 0.0733                 0.1267
 IR Inten    --      2.4611                 3.9186                 1.6525
 RamAct Fr= 1--      1.5321                 1.4527                 2.4017
  Dep-P Fr= 1--      0.3244                 0.3719                 0.4503
  Dep-U Fr= 1--      0.4899                 0.5422                 0.6210
 Alpha2 Fr= 1--      0.0146                 0.0119                 0.0147
 Beta2  Fr= 1--      0.1251                 0.1313                 0.2486
 AlphaG Fr= 1--      0.0166                 0.0089                -0.0631
 Gamma2 Fr= 1--      1.1991                -0.2047                -0.3501
 Delta2 Fr= 1--      0.1184                -0.1063                -0.3427
 Raman1 Fr= 1--       6.128                  5.811                  9.607
 ROA1   Fr= 1--     118.902                -23.049                -44.571
 CID1   Fr= 1--      19.402                 -3.966                 -4.640
 Raman2 Fr= 1--       1.501                  1.575                  2.983
 ROA2   Fr= 1--      27.831                 -4.062                 -5.660
 CID2   Fr= 1--      18.541                 -2.579                 -1.897
 Raman3 Fr= 1--       3.002                  3.151                  5.966
 ROA3   Fr= 1--     118.902                -23.049                -44.571
 CID3   Fr= 1--      39.606                 -7.316                 -7.471
 RC180  Fr= 1--      -0.020                  0.084                  0.242
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.03   0.01  -0.02    -0.00   0.00   0.09
     2   6     0.01   0.02  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
     3   6    -0.04  -0.05   0.01    -0.03  -0.03   0.04    -0.01   0.02   0.15
     4   6    -0.01  -0.08   0.00     0.00  -0.06   0.05    -0.02   0.01   0.02
     5   6     0.02  -0.07   0.08     0.01  -0.06  -0.01    -0.01   0.02   0.07
     6   6     0.04  -0.01   0.06     0.02  -0.03  -0.03    -0.01   0.02   0.07
     7   6    -0.04   0.05   0.05    -0.05   0.03  -0.06     0.02  -0.02  -0.01
     8   1    -0.09  -0.06  -0.00    -0.08  -0.04   0.05    -0.00   0.02   0.20
     9   1     0.04  -0.09   0.13     0.02  -0.08  -0.03    -0.01   0.02   0.09
    10   1     0.09   0.00   0.10     0.07  -0.02  -0.07    -0.02   0.02   0.09
    11   6    -0.00  -0.05  -0.02     0.03  -0.04   0.03    -0.04   0.01  -0.06
    12   6    -0.05   0.07  -0.05     0.15   0.03  -0.06    -0.15   0.01  -0.01
    13   6    -0.00  -0.01  -0.02     0.02  -0.01   0.02    -0.01   0.00  -0.05
    14   1     0.05  -0.04   0.02     0.06  -0.03   0.06    -0.03   0.01  -0.07
    15   1    -0.02   0.19  -0.04     0.18   0.07  -0.20    -0.15   0.04   0.12
    16   1    -0.02   0.06  -0.03     0.29   0.05   0.02    -0.25  -0.01  -0.07
    17   1    -0.17   0.07  -0.11     0.11   0.03  -0.11    -0.18   0.01   0.00
    18   8    -0.01   0.01   0.02     0.01   0.02   0.04    -0.00  -0.02  -0.01
    19   8     0.03   0.02  -0.04     0.04   0.03   0.00     0.04  -0.01  -0.08
    20   1     0.03  -0.01  -0.07     0.05  -0.01  -0.02     0.03  -0.01  -0.13
    21   6    -0.02   0.07   0.01    -0.04   0.06  -0.04     0.03  -0.03  -0.11
    22   6     0.00   0.07  -0.05    -0.05   0.06   0.01     0.04  -0.02  -0.07
    23   6     0.02   0.06  -0.09    -0.03   0.05   0.02     0.04  -0.02  -0.15
    24   8    -0.03   0.01   0.01    -0.07   0.01   0.02     0.04   0.02   0.14
    25   6     0.08  -0.13   0.02    -0.00  -0.09   0.01     0.05   0.01   0.02
    26   1    -0.07   0.05   0.08    -0.08   0.02  -0.09     0.03  -0.01  -0.01
    27   1    -0.02   0.09   0.01    -0.04   0.06  -0.04     0.03  -0.02  -0.13
    28   1     0.05   0.06  -0.12    -0.00   0.06   0.04     0.03  -0.03  -0.18
    29   1     0.41  -0.44  -0.14    -0.21   0.21   0.18    -0.26   0.27   0.14
    30   1    -0.04   0.14  -0.24     0.29  -0.35   0.28     0.33  -0.20   0.24
    31   1    -0.03  -0.20   0.46    -0.02  -0.22  -0.44     0.09  -0.04  -0.45
                     13                     14                     15
                      A                      A                      A
 Frequencies --    307.9476               347.9204               397.1233
 Red. masses --      4.7716                 3.8274                 4.9523
 Frc consts  --      0.2666                 0.2730                 0.4602
 IR Inten    --      8.5124                 1.1363                 1.3002
 RamAct Fr= 1--      6.6465                 4.8058                 1.2235
  Dep-P Fr= 1--      0.2504                 0.2093                 0.5542
  Dep-U Fr= 1--      0.4005                 0.3461                 0.7132
 Alpha2 Fr= 1--      0.0787                 0.0637                 0.0046
 Beta2  Fr= 1--      0.4437                 0.2772                 0.1454
 AlphaG Fr= 1--      0.0939                -0.0449                -0.0356
 Gamma2 Fr= 1--      0.2026                -0.5227                 1.6126
 Delta2 Fr= 1--      0.1906                 0.0419                 0.6899
 Raman1 Fr= 1--      26.586                 19.223                  4.894
 ROA1   Fr= 1--      25.545                -48.839                176.884
 CID1   Fr= 1--       0.961                 -2.541                 36.143
 Raman2 Fr= 1--       5.324                  3.327                  1.745
 ROA2   Fr= 1--       3.337                -12.880                 33.183
 CID2   Fr= 1--       0.627                 -3.872                 19.014
 Raman3 Fr= 1--      10.648                  6.653                  3.490
 ROA3   Fr= 1--      25.545                -48.839                176.884
 CID3   Fr= 1--       2.399                 -7.340                 50.678
 RC180  Fr= 1--      -0.199                 -0.308                  0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.02    -0.04  -0.14  -0.01     0.01   0.02  -0.07
     2   6     0.02   0.01  -0.00    -0.02  -0.14  -0.00     0.02   0.01  -0.12
     3   6    -0.03   0.03  -0.02     0.00  -0.02   0.01    -0.02  -0.00   0.11
     4   6    -0.07   0.05   0.01    -0.06   0.08   0.02    -0.02  -0.01   0.24
     5   6    -0.02   0.06  -0.01    -0.12   0.06  -0.01     0.00  -0.01   0.22
     6   6    -0.01   0.05  -0.02    -0.13  -0.06  -0.04     0.05  -0.02  -0.23
     7   6     0.06  -0.04   0.00    -0.10  -0.08  -0.01     0.03   0.01  -0.08
     8   1     0.00   0.04  -0.02     0.12   0.00   0.00    -0.04  -0.02   0.06
     9   1    -0.00   0.04  -0.00    -0.16   0.10  -0.00     0.01  -0.02   0.34
    10   1    -0.05   0.04  -0.04    -0.26  -0.09  -0.08     0.11  -0.03  -0.44
    11   6    -0.15  -0.06  -0.02    -0.04   0.14  -0.01    -0.01   0.02   0.01
    12   6     0.07   0.02  -0.20     0.05  -0.04   0.04    -0.08   0.02   0.06
    13   6    -0.15  -0.08   0.03    -0.00   0.07  -0.01    -0.03   0.02  -0.08
    14   1    -0.22  -0.06   0.05    -0.05   0.13  -0.07     0.04   0.02  -0.02
    15   1     0.14   0.18  -0.50     0.01  -0.18  -0.04    -0.09   0.03   0.21
    16   1     0.37  -0.02  -0.03     0.05  -0.09   0.02    -0.21   0.01  -0.02
    17   1    -0.08   0.02  -0.25     0.18  -0.03   0.17    -0.10   0.02   0.08
    18   8    -0.18  -0.02   0.28     0.03  -0.03  -0.02    -0.02  -0.03  -0.05
    19   8     0.03   0.03  -0.09     0.02  -0.04  -0.00     0.10  -0.01  -0.17
    20   1     0.01  -0.04  -0.25     0.00   0.05  -0.01     0.07   0.02  -0.32
    21   6     0.05  -0.07   0.03    -0.07   0.05   0.00     0.01   0.00   0.06
    22   6     0.08  -0.06   0.03     0.02   0.08   0.02    -0.01   0.01   0.14
    23   6     0.04  -0.03   0.03     0.05  -0.01   0.04    -0.01   0.03   0.17
    24   8     0.12  -0.01  -0.01     0.06   0.14  -0.03     0.00  -0.04  -0.09
    25   6     0.09   0.06  -0.00     0.24  -0.05   0.02    -0.04   0.00  -0.02
    26   1     0.12  -0.02   0.00    -0.21  -0.11  -0.03     0.05   0.01  -0.13
    27   1     0.05  -0.06   0.04    -0.11   0.10  -0.01     0.02  -0.01   0.02
    28   1    -0.02  -0.04   0.04     0.15   0.02   0.06    -0.04   0.03   0.23
    29   1     0.09   0.04  -0.01     0.41  -0.05   0.03     0.01  -0.01  -0.02
    30   1     0.03   0.07  -0.02     0.37  -0.04   0.03    -0.13   0.02  -0.04
    31   1     0.11   0.11   0.04     0.10  -0.25   0.06    -0.02   0.05   0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.6870               454.3575               486.0512
 Red. masses --      3.3696                 5.4598                 2.5766
 Frc consts  --      0.3464                 0.6641                 0.3586
 IR Inten    --      0.0777                 1.7628                14.2128
 RamAct Fr= 1--      1.5795                 0.7800                 0.0574
  Dep-P Fr= 1--      0.7410                 0.6644                 0.1095
  Dep-U Fr= 1--      0.8513                 0.7983                 0.1973
 Alpha2 Fr= 1--      0.0002                 0.0012                 0.0010
 Beta2  Fr= 1--      0.2241                 0.1038                 0.0019
 AlphaG Fr= 1--      0.0006                 0.0060                -0.0039
 Gamma2 Fr= 1--      0.2608                 0.3553                -0.0443
 Delta2 Fr= 1--      0.0023                 0.2165                -0.0322
 Raman1 Fr= 1--       6.318                  3.120                  0.230
 ROA1   Fr= 1--      25.109                 41.032                 -5.279
 CID1   Fr= 1--       3.974                 13.152                -22.998
 Raman2 Fr= 1--       2.689                  1.245                  0.023
 ROA2   Fr= 1--       6.240                  6.795                 -0.805
 CID2   Fr= 1--       2.320                  5.456                -35.544
 Raman3 Fr= 1--       5.378                  2.491                  0.045
 ROA3   Fr= 1--      25.109                 41.032                 -5.279
 CID3   Fr= 1--       4.668                 16.474               -116.555
 RC180  Fr= 1--       0.703                  0.597                 -0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.09     0.15  -0.15   0.03    -0.01   0.02   0.21
     2   6     0.00  -0.00  -0.03     0.10  -0.17   0.04    -0.01   0.02   0.19
     3   6     0.01  -0.02  -0.18     0.21  -0.01  -0.00     0.01  -0.02  -0.12
     4   6     0.00  -0.00  -0.01     0.10   0.12  -0.01    -0.01  -0.00   0.03
     5   6    -0.01   0.01   0.12     0.09   0.10  -0.03    -0.00  -0.00   0.06
     6   6     0.01  -0.02  -0.15     0.03  -0.08   0.03     0.01  -0.01  -0.10
     7   6    -0.02   0.03   0.25     0.01  -0.00   0.02     0.01  -0.01  -0.10
     8   1     0.03  -0.04  -0.40     0.40   0.04   0.02     0.03  -0.06  -0.45
     9   1    -0.02   0.03   0.25     0.03   0.17  -0.05     0.01  -0.02  -0.03
    10   1     0.02  -0.03  -0.29    -0.12  -0.11   0.03     0.04  -0.05  -0.42
    11   6     0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.02  -0.01
    12   6     0.00   0.00  -0.01    -0.03   0.00   0.02    -0.00  -0.00  -0.01
    13   6     0.00   0.00   0.01    -0.10  -0.03  -0.02    -0.01   0.03   0.00
    14   1    -0.00  -0.00  -0.00    -0.08   0.04   0.01     0.02   0.02  -0.03
    15   1     0.01   0.00  -0.03    -0.03   0.02   0.06    -0.00  -0.01  -0.02
    16   1     0.02   0.00  -0.00    -0.08  -0.07  -0.03    -0.00  -0.00  -0.01
    17   1     0.01   0.00  -0.02    -0.06   0.01   0.08     0.01   0.00   0.00
    18   8     0.00   0.00   0.01    -0.11  -0.03   0.12     0.00  -0.01   0.01
    19   8    -0.01  -0.01   0.02    -0.02  -0.01  -0.10    -0.00  -0.02   0.01
    20   1    -0.02   0.03   0.04    -0.04  -0.02  -0.18    -0.03   0.11   0.01
    21   6     0.02  -0.02  -0.21     0.04   0.17  -0.02     0.00   0.01   0.05
    22   6     0.01  -0.01  -0.11    -0.07   0.14  -0.04    -0.00   0.01   0.07
    23   6    -0.01   0.01   0.09     0.10  -0.00   0.00     0.01  -0.01  -0.12
    24   8    -0.00   0.01   0.06    -0.18   0.00  -0.01     0.00  -0.01  -0.01
    25   6     0.00   0.00   0.01    -0.19  -0.08  -0.01    -0.01  -0.00  -0.00
    26   1    -0.04   0.05   0.49    -0.20  -0.05   0.02     0.04  -0.05  -0.45
    27   1     0.03  -0.04  -0.33     0.03   0.18  -0.01     0.01  -0.01  -0.12
    28   1    -0.03   0.03   0.31     0.35   0.06   0.02     0.05  -0.05  -0.48
    29   1    -0.07   0.04   0.03    -0.18  -0.07  -0.00    -0.01   0.01   0.00
    30   1     0.06  -0.03   0.05    -0.17  -0.07  -0.01    -0.02  -0.01   0.00
    31   1     0.01  -0.01  -0.09    -0.20  -0.09  -0.01    -0.00   0.01  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    494.3120               512.3411               538.5383
 Red. masses --      3.8581                 3.9004                 5.5708
 Frc consts  --      0.5554                 0.6032                 0.9519
 IR Inten    --      4.5427                22.6816                 3.4739
 RamAct Fr= 1--      1.7244                 3.4532                17.8620
  Dep-P Fr= 1--      0.6490                 0.2317                 0.3688
  Dep-U Fr= 1--      0.7871                 0.3762                 0.5389
 Alpha2 Fr= 1--      0.0031                 0.0431                 0.1474
 Beta2  Fr= 1--      0.2262                 0.2165                 1.6043
 AlphaG Fr= 1--      0.0375                -0.1794                 0.1095
 Gamma2 Fr= 1--     -2.4731                 0.6877                 2.0976
 Delta2 Fr= 1--     -0.4200                -0.2787                 0.3808
 Raman1 Fr= 1--       6.898                 13.813                 71.448
 ROA1   Fr= 1--    -250.859                 57.105                213.555
 CID1   Fr= 1--     -36.368                  4.134                  2.989
 Raman2 Fr= 1--       2.715                  2.598                 19.252
 ROA2   Fr= 1--     -55.995                 18.735                 47.295
 CID2   Fr= 1--     -20.627                  7.210                  2.457
 Raman3 Fr= 1--       5.429                  5.197                 38.504
 ROA3   Fr= 1--    -250.859                 57.105                213.555
 CID3   Fr= 1--     -46.205                 10.989                  5.546
 RC180  Fr= 1--       0.574                 -0.248                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03  -0.04     0.03  -0.01  -0.01    -0.11  -0.02  -0.01
     2   6     0.00   0.06   0.06     0.03  -0.00  -0.07     0.15   0.03  -0.00
     3   6    -0.04  -0.10  -0.07    -0.02  -0.09   0.08    -0.07   0.08  -0.00
     4   6    -0.06  -0.09   0.02    -0.06  -0.06  -0.04     0.00   0.05  -0.01
     5   6    -0.01  -0.12  -0.10    -0.05  -0.06   0.05     0.27   0.10   0.01
     6   6     0.02   0.02   0.08    -0.00  -0.00  -0.02     0.26   0.08   0.02
     7   6     0.02   0.03   0.04     0.05   0.01  -0.01    -0.22  -0.03  -0.01
     8   1    -0.12  -0.12  -0.09    -0.04  -0.08   0.14     0.02   0.09   0.01
     9   1     0.07  -0.21  -0.20    -0.01  -0.10   0.16     0.36   0.01   0.04
    10   1     0.11   0.04   0.11     0.02   0.01   0.05     0.24   0.08   0.03
    11   6    -0.02   0.19   0.07    -0.05   0.13  -0.15    -0.02   0.08  -0.05
    12   6     0.10   0.04   0.18    -0.05  -0.04  -0.17    -0.01   0.01  -0.03
    13   6    -0.13   0.12  -0.04    -0.00   0.19   0.01    -0.03   0.10  -0.01
    14   1     0.15   0.19   0.03     0.09   0.11  -0.35     0.05   0.08  -0.13
    15   1     0.04  -0.17   0.08    -0.07  -0.14  -0.25    -0.02  -0.05  -0.06
    16   1     0.09  -0.08   0.14    -0.03  -0.07  -0.17    -0.01  -0.03  -0.04
    17   1     0.28   0.05   0.41     0.06  -0.04  -0.08     0.05   0.01   0.05
    18   8    -0.07  -0.07   0.02     0.08  -0.02   0.09     0.01  -0.02   0.04
    19   8     0.06  -0.06  -0.14    -0.07  -0.11   0.14    -0.01  -0.06   0.02
    20   1    -0.05   0.27  -0.32    -0.17   0.46   0.29    -0.12   0.40   0.03
    21   6     0.04   0.00  -0.01     0.08   0.07   0.00    -0.26  -0.13  -0.01
    22   6     0.04  -0.01  -0.08     0.05   0.05   0.04    -0.04  -0.09   0.01
    23   6     0.01   0.04  -0.03     0.04   0.07   0.03     0.07  -0.14   0.03
    24   8     0.03  -0.05   0.04     0.01  -0.08  -0.01    -0.02   0.01  -0.00
    25   6    -0.02   0.01   0.00    -0.07  -0.01  -0.01     0.00  -0.04   0.00
    26   1     0.05   0.05   0.15     0.02   0.00  -0.02    -0.18  -0.03  -0.00
    27   1     0.02   0.02   0.08     0.05   0.10  -0.04    -0.28  -0.11  -0.01
    28   1    -0.03   0.04   0.02     0.09   0.09   0.06    -0.03  -0.16   0.03
    29   1    -0.10   0.00  -0.00    -0.14  -0.01  -0.01     0.04  -0.04   0.01
    30   1    -0.06   0.01  -0.00    -0.16  -0.01  -0.02     0.04  -0.03   0.01
    31   1     0.03   0.08  -0.02     0.00   0.11  -0.01    -0.03  -0.08   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    567.6145               584.9456               599.7614
 Red. masses --      2.8765                 1.4879                 2.7139
 Frc consts  --      0.5460                 0.3000                 0.5752
 IR Inten    --     11.2289                59.7496                 2.3228
 RamAct Fr= 1--      4.7365                 2.2515                 2.8480
  Dep-P Fr= 1--      0.3502                 0.3796                 0.5139
  Dep-U Fr= 1--      0.5187                 0.5503                 0.6789
 Alpha2 Fr= 1--      0.0416                 0.0179                 0.0132
 Beta2  Fr= 1--      0.4095                 0.2065                 0.3223
 AlphaG Fr= 1--     -0.1401                 0.1457                -0.0637
 Gamma2 Fr= 1--     -1.8097                -0.1103                -0.3912
 Delta2 Fr= 1--     -0.4319                -0.3361                -0.3408
 Raman1 Fr= 1--      18.946                  9.006                 11.392
 ROA1   Fr= 1--    -187.550                -21.340                -48.464
 CID1   Fr= 1--      -9.899                 -2.369                 -4.254
 Raman2 Fr= 1--       4.914                  2.478                  3.867
 ROA2   Fr= 1--     -39.976                  0.043                 -6.664
 CID2   Fr= 1--      -8.135                  0.017                 -1.723
 Raman3 Fr= 1--       9.828                  4.956                  7.735
 ROA3   Fr= 1--    -187.550                -21.340                -48.464
 CID3   Fr= 1--     -19.084                 -4.306                 -6.266
 RC180  Fr= 1--       0.037                  0.101                  0.358
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.00    -0.03  -0.02  -0.02    -0.03   0.01   0.09
     2   6    -0.04   0.01  -0.02    -0.02  -0.02   0.02     0.00  -0.01  -0.15
     3   6     0.08  -0.01   0.02    -0.02   0.04  -0.00    -0.01   0.01   0.00
     4   6     0.08  -0.04   0.00     0.01   0.03   0.03     0.02  -0.02  -0.19
     5   6    -0.02  -0.05   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.01
     6   6    -0.02  -0.01   0.00    -0.02  -0.02   0.01    -0.00  -0.01  -0.00
     7   6     0.09   0.09  -0.00    -0.02  -0.05  -0.00    -0.02  -0.01   0.05
     8   1     0.02  -0.02   0.01     0.01   0.05  -0.04    -0.03   0.03   0.18
     9   1    -0.05  -0.02   0.02    -0.03   0.06  -0.06    -0.04   0.05   0.39
    10   1     0.04   0.01   0.03    -0.06  -0.04  -0.02    -0.03   0.03   0.36
    11   6     0.07  -0.02  -0.03     0.00  -0.08   0.04     0.02   0.01   0.03
    12   6    -0.00  -0.00  -0.01    -0.00  -0.00   0.01     0.05   0.03   0.08
    13   6    -0.02   0.02  -0.02     0.02  -0.05   0.01    -0.01  -0.05   0.00
    14   1     0.11  -0.02  -0.08    -0.06  -0.08   0.05     0.01   0.02   0.12
    15   1     0.00   0.04   0.09     0.02   0.07   0.03     0.04  -0.01   0.04
    16   1    -0.08  -0.02  -0.06     0.02   0.06   0.04     0.07  -0.02   0.08
    17   1    -0.05   0.00  -0.01    -0.06  -0.01  -0.10     0.09   0.03   0.14
    18   8    -0.02   0.00   0.07    -0.01   0.04  -0.04    -0.04   0.01   0.01
    19   8    -0.03  -0.07  -0.02     0.04  -0.04  -0.00    -0.00   0.00  -0.03
    20   1    -0.20   0.68  -0.03    -0.19   0.91  -0.09    -0.05   0.18  -0.08
    21   6     0.01  -0.07   0.01     0.01   0.03   0.00    -0.00  -0.00  -0.06
    22   6    -0.12  -0.06   0.00     0.04   0.02  -0.03    -0.00   0.03   0.23
    23   6    -0.09  -0.11   0.01     0.01   0.05  -0.00    -0.00   0.02  -0.02
    24   8    -0.08   0.17  -0.03     0.03  -0.05   0.01     0.02  -0.03  -0.04
    25   6     0.07   0.02   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.01
    26   1     0.15   0.10   0.00    -0.05  -0.05   0.04     0.00  -0.04  -0.24
    27   1     0.16  -0.22   0.03    -0.05   0.09   0.06     0.02  -0.03  -0.54
    28   1    -0.15  -0.12   0.01     0.03   0.06   0.03     0.01  -0.01  -0.26
    29   1     0.23   0.02   0.01    -0.06  -0.00  -0.00    -0.00   0.02   0.00
    30   1     0.23   0.02   0.02    -0.06   0.00  -0.01    -0.04  -0.02   0.00
    31   1    -0.08  -0.20   0.02     0.03   0.07  -0.00     0.02   0.03  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    637.1476               684.8831               697.1971
 Red. masses --      5.1669                 4.3300                 4.3846
 Frc consts  --      1.2358                 1.1967                 1.2557
 IR Inten    --      0.5487                 6.6427                 5.4172
 RamAct Fr= 1--      1.2129                 2.1701                 0.5017
  Dep-P Fr= 1--      0.7167                 0.1847                 0.0855
  Dep-U Fr= 1--      0.8350                 0.3118                 0.1575
 Alpha2 Fr= 1--      0.0007                 0.0307                 0.0091
 Beta2  Fr= 1--      0.1688                 0.1128                 0.0132
 AlphaG Fr= 1--     -0.0074                 0.0531                -0.0685
 Gamma2 Fr= 1--      0.9763                -0.3077                 0.0038
 Delta2 Fr= 1--      0.1018                -0.2233                 0.0738
 Raman1 Fr= 1--       4.852                  8.680                  2.007
 ROA1   Fr= 1--      96.978                -36.679                  2.721
 CID1   Fr= 1--      19.989                 -4.226                  1.356
 Raman2 Fr= 1--       2.025                  1.353                  0.158
 ROA2   Fr= 1--      22.616                 -5.598                 -0.500
 CID2   Fr= 1--      11.166                 -4.137                 -3.164
 Raman3 Fr= 1--       4.051                  2.706                  0.316
 ROA3   Fr= 1--      96.978                -36.679                  2.721
 CID3   Fr= 1--      23.939                -13.553                  8.608
 RC180  Fr= 1--       0.670                 -0.376                 -0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01  -0.02    -0.02  -0.01  -0.10     0.05  -0.01  -0.10
     2   6    -0.15  -0.00   0.00    -0.05  -0.02  -0.04     0.05   0.01  -0.01
     3   6    -0.02   0.18  -0.01    -0.03   0.10  -0.08     0.06  -0.10  -0.03
     4   6     0.16   0.02   0.01     0.00   0.05   0.21    -0.00  -0.00   0.21
     5   6     0.07  -0.04   0.03     0.10  -0.03  -0.08    -0.11   0.03  -0.07
     6   6    -0.00  -0.20   0.01     0.05  -0.13   0.13    -0.09   0.16   0.06
     7   6    -0.05  -0.11  -0.01     0.06  -0.09   0.14    -0.11   0.15   0.07
     8   1    -0.06   0.17  -0.03    -0.02   0.09  -0.19     0.07  -0.12  -0.17
     9   1    -0.08   0.12  -0.05     0.08  -0.01  -0.40    -0.07  -0.03  -0.42
    10   1     0.05  -0.20  -0.05     0.07  -0.13   0.08    -0.12   0.14  -0.07
    11   6     0.20   0.03  -0.11    -0.07  -0.01   0.02     0.11  -0.05  -0.03
    12   6     0.03   0.02   0.03    -0.05  -0.03  -0.07     0.01  -0.01  -0.00
    13   6     0.00   0.03  -0.11    -0.06   0.14   0.04     0.07  -0.05  -0.08
    14   1     0.27   0.02  -0.15    -0.02  -0.03  -0.14     0.09  -0.05  -0.04
    15   1     0.04   0.10   0.32    -0.04  -0.00  -0.11     0.03   0.12   0.23
    16   1    -0.22  -0.10  -0.16     0.00   0.07  -0.01    -0.15  -0.01  -0.10
    17   1    -0.09   0.03   0.13    -0.07  -0.04  -0.19    -0.14  -0.01  -0.04
    18   8     0.01  -0.01   0.20    -0.00  -0.05  -0.07     0.05   0.03   0.09
    19   8    -0.15  -0.04  -0.08     0.08  -0.00   0.05    -0.09  -0.02  -0.06
    20   1    -0.06  -0.28   0.16     0.08  -0.10  -0.07    -0.06   0.02   0.15
    21   6    -0.01  -0.01   0.02     0.09  -0.04  -0.09    -0.11   0.04  -0.09
    22   6     0.05   0.01  -0.04    -0.03   0.03   0.20     0.01  -0.00   0.16
    23   6    -0.11   0.16  -0.02    -0.05   0.05  -0.07     0.07  -0.07  -0.04
    24   8     0.07  -0.07   0.02    -0.04   0.06  -0.04     0.07  -0.10  -0.00
    25   6     0.05   0.03   0.00    -0.00   0.01  -0.00     0.01  -0.00  -0.00
    26   1    -0.05  -0.11   0.03     0.10  -0.08   0.11    -0.16   0.14   0.09
    27   1    -0.11   0.10   0.09     0.12  -0.08  -0.43    -0.10   0.02  -0.32
    28   1    -0.17   0.15   0.04    -0.03   0.02  -0.33     0.09  -0.09  -0.23
    29   1    -0.02   0.02  -0.00     0.07   0.02   0.01    -0.07   0.01  -0.00
    30   1    -0.02   0.03  -0.01     0.04  -0.01   0.01    -0.09  -0.01  -0.01
    31   1     0.10   0.11  -0.00    -0.05  -0.07  -0.01     0.10   0.12  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    747.9426               778.9933               790.5484
 Red. masses --      5.9249                 2.7797                 3.5418
 Frc consts  --      1.9528                 0.9938                 1.3042
 IR Inten    --      9.0611                 1.8277                 1.2680
 RamAct Fr= 1--     33.9522                 5.8321                23.4817
  Dep-P Fr= 1--      0.0703                 0.0960                 0.0920
  Dep-U Fr= 1--      0.1314                 0.1752                 0.1686
 Alpha2 Fr= 1--      0.6388                 0.1031                 0.4192
 Beta2  Fr= 1--      0.7438                 0.1703                 0.6597
 AlphaG Fr= 1--     -0.3640                -0.0613                 0.4151
 Gamma2 Fr= 1--     -1.9081                 0.9043                 1.8717
 Delta2 Fr= 1--      0.3771                 0.7844                -0.1337
 Raman1 Fr= 1--     135.809                 23.328                 93.927
 ROA1   Fr= 1--    -171.109                111.911                175.409
 CID1   Fr= 1--      -1.260                  4.797                  1.868
 Raman2 Fr= 1--       8.926                  2.044                  7.917
 ROA2   Fr= 1--     -48.811                 15.427                 45.991
 CID2   Fr= 1--      -5.469                  7.547                  5.809
 Raman3 Fr= 1--      17.851                  4.088                 15.833
 ROA3   Fr= 1--    -171.109                111.911                175.409
 CID3   Fr= 1--      -9.585                 27.374                 11.079
 RC180  Fr= 1--      -0.737                 -0.650                 -0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.09   0.05     0.02   0.01  -0.19     0.01  -0.08  -0.07
     2   6    -0.04  -0.07  -0.02    -0.02  -0.01   0.20    -0.02   0.09   0.10
     3   6     0.11   0.08  -0.01    -0.02   0.03   0.05     0.08  -0.07   0.03
     4   6     0.13   0.01  -0.03     0.00   0.00  -0.11     0.06  -0.04  -0.08
     5   6    -0.01  -0.04  -0.01     0.01  -0.02   0.10    -0.04   0.06   0.03
     6   6    -0.05  -0.18  -0.00     0.02  -0.09  -0.04    -0.03   0.19  -0.08
     7   6    -0.10   0.31  -0.06    -0.00   0.08   0.02    -0.02  -0.15   0.02
     8   1     0.09   0.08   0.03    -0.05   0.06   0.32     0.11  -0.04   0.25
     9   1    -0.18   0.14   0.12    -0.00  -0.01   0.01    -0.02   0.05   0.17
    10   1    -0.07  -0.17   0.14     0.05  -0.13  -0.31     0.00   0.20  -0.05
    11   6     0.02  -0.04   0.02    -0.04   0.07  -0.01     0.12  -0.12  -0.00
    12   6    -0.02  -0.03  -0.05    -0.01   0.01  -0.01     0.04  -0.02   0.01
    13   6    -0.16   0.17   0.11     0.03  -0.08   0.00    -0.11   0.16   0.05
    14   1     0.09  -0.06  -0.20    -0.09   0.08   0.11     0.23  -0.14  -0.26
    15   1     0.00   0.06  -0.02    -0.05  -0.12  -0.12     0.10   0.21   0.23
    16   1    -0.02   0.08  -0.01     0.03  -0.08  -0.01    -0.06   0.12   0.00
    17   1    -0.09  -0.04  -0.21     0.11   0.02   0.15    -0.17  -0.03  -0.23
    18   8    -0.10  -0.09  -0.09    -0.01   0.02  -0.00    -0.06  -0.07  -0.02
    19   8     0.13   0.01   0.10    -0.00   0.01   0.01     0.06  -0.01   0.04
    20   1     0.09  -0.09  -0.27    -0.02   0.07   0.01     0.04  -0.10  -0.16
    21   6    -0.15   0.08   0.01     0.00   0.00  -0.11    -0.02  -0.04  -0.05
    22   6    -0.01  -0.04  -0.03    -0.02   0.00   0.10     0.01   0.01   0.03
    23   6    -0.02  -0.09   0.02     0.00  -0.03  -0.01    -0.04   0.09  -0.01
    24   8     0.12  -0.15   0.03     0.01  -0.02  -0.00    -0.01   0.02  -0.00
    25   6     0.08   0.03   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.15   0.30  -0.14    -0.02   0.13   0.44    -0.10  -0.15   0.23
    27   1    -0.07   0.01   0.01     0.01   0.00   0.22    -0.12   0.07   0.15
    28   1    -0.03  -0.09   0.09     0.06  -0.08  -0.50    -0.09   0.04  -0.32
    29   1    -0.07   0.03  -0.00     0.00   0.01  -0.00     0.02  -0.00   0.00
    30   1    -0.06   0.03  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.00
    31   1     0.20   0.22  -0.01     0.02   0.03   0.01    -0.02  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    811.4904               819.7663               833.3944
 Red. masses --      3.1406                 1.5203                 1.6920
 Frc consts  --      1.2185                 0.6020                 0.6924
 IR Inten    --      7.5452                20.1261                 1.4816
 RamAct Fr= 1--      5.8947                 0.4655                 1.6949
  Dep-P Fr= 1--      0.3463                 0.3964                 0.1394
  Dep-U Fr= 1--      0.5145                 0.5678                 0.2446
 Alpha2 Fr= 1--      0.0524                 0.0035                 0.0269
 Beta2  Fr= 1--      0.5054                 0.0441                 0.0691
 AlphaG Fr= 1--     -0.1195                -0.0021                -0.0098
 Gamma2 Fr= 1--     -0.0772                -0.4059                -0.2225
 Delta2 Fr= 1--      0.1471                 0.0043                -0.3183
 Raman1 Fr= 1--      23.579                  1.862                  6.779
 ROA1   Fr= 1--      -2.703                -38.828                -31.543
 CID1   Fr= 1--      -0.115                -20.851                 -4.653
 Raman2 Fr= 1--       6.065                  0.529                  0.829
 ROA2   Fr= 1--      -3.029                 -9.776                 -2.792
 CID2   Fr= 1--      -0.499                -18.493                 -3.367
 Raman3 Fr= 1--      12.130                  1.057                  1.659
 ROA3   Fr= 1--      -2.703                -38.828                -31.543
 CID3   Fr= 1--      -0.223                -36.724                -19.019
 RC180  Fr= 1--       0.029                  0.136                 -0.511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.03    -0.01   0.01   0.11     0.02  -0.02  -0.03
     2   6     0.05  -0.07   0.07     0.01  -0.01  -0.05    -0.03   0.03   0.06
     3   6    -0.13   0.09  -0.04    -0.01   0.01   0.01     0.05  -0.03  -0.01
     4   6    -0.05  -0.01  -0.02    -0.00   0.00   0.03     0.00   0.02   0.11
     5   6    -0.02   0.03  -0.03     0.00  -0.01  -0.05     0.02  -0.02  -0.09
     6   6    -0.03  -0.05  -0.06    -0.00  -0.00   0.00     0.02  -0.01  -0.10
     7   6     0.04   0.05   0.00     0.01  -0.01  -0.10    -0.01  -0.00   0.02
     8   1    -0.24   0.09   0.15     0.02  -0.04  -0.37     0.09  -0.02   0.05
     9   1    -0.08   0.10   0.30    -0.01   0.01   0.12    -0.02   0.04   0.54
    10   1    -0.19  -0.05   0.25    -0.02   0.02   0.22     0.00   0.08   0.64
    11   6    -0.03  -0.14   0.07     0.00   0.00  -0.00    -0.03   0.04   0.01
    12   6     0.03  -0.01   0.09     0.00   0.00   0.00    -0.03  -0.01  -0.04
    13   6     0.01   0.18  -0.07     0.00  -0.01   0.00     0.03  -0.04  -0.01
    14   1     0.03  -0.16  -0.17    -0.00   0.00   0.01    -0.06   0.04   0.08
    15   1     0.10   0.18   0.07    -0.00  -0.00   0.00    -0.05  -0.06  -0.07
    16   1     0.16   0.26   0.25    -0.00  -0.01  -0.01    -0.03  -0.05  -0.05
    17   1    -0.09  -0.02  -0.27     0.00   0.00   0.01     0.02  -0.01   0.04
    18   8     0.09  -0.01   0.04    -0.00   0.00  -0.00     0.01   0.02   0.00
    19   8    -0.06  -0.05  -0.08    -0.00   0.00   0.00    -0.01   0.00  -0.01
    20   1    -0.02  -0.10   0.11     0.00  -0.01  -0.00    -0.00   0.01   0.03
    21   6     0.05   0.02  -0.01     0.01  -0.01  -0.10    -0.02  -0.00   0.02
    22   6     0.02   0.01  -0.02    -0.01   0.01   0.08    -0.01  -0.01  -0.06
    23   6     0.11  -0.10   0.04     0.00  -0.00   0.01    -0.05   0.04   0.05
    24   8    -0.02   0.03   0.00     0.00  -0.00  -0.02     0.01  -0.01   0.02
    25   6    -0.04  -0.03  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
    26   1     0.11   0.07   0.00    -0.04   0.06   0.54    -0.03  -0.02  -0.11
    27   1     0.09  -0.01   0.04    -0.05   0.07   0.66    -0.01  -0.01  -0.08
    28   1     0.28  -0.09  -0.19     0.02  -0.01  -0.10    -0.06  -0.02  -0.41
    29   1    -0.02  -0.02   0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
    30   1    -0.02  -0.02   0.00    -0.01   0.00  -0.01     0.01   0.01   0.00
    31   1    -0.05  -0.04   0.00    -0.00   0.00   0.03     0.03   0.02  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    859.0113               898.4820               910.5673
 Red. masses --      3.0679                 1.6982                 1.5083
 Frc consts  --      1.3338                 0.8077                 0.7368
 IR Inten    --     11.1390                31.7275                11.8067
 RamAct Fr= 1--     24.5267                 1.8979                 0.6149
  Dep-P Fr= 1--      0.0804                 0.7422                 0.3799
  Dep-U Fr= 1--      0.1489                 0.8521                 0.5506
 Alpha2 Fr= 1--      0.4504                 0.0003                 0.0049
 Beta2  Fr= 1--      0.6086                 0.2695                 0.0564
 AlphaG Fr= 1--      0.0816                -0.0065                -0.0288
 Gamma2 Fr= 1--      1.9298                -0.0315                 0.1258
 Delta2 Fr= 1--     -0.7310                 0.2272                 0.2415
 Raman1 Fr= 1--      98.107                  7.592                  2.460
 ROA1   Fr= 1--     161.872                  4.244                 19.807
 CID1   Fr= 1--       1.650                  0.559                  8.052
 Raman2 Fr= 1--       7.303                  3.234                  0.677
 ROA2   Fr= 1--      52.164                 -2.574                  1.088
 CID2   Fr= 1--       7.143                 -0.796                  1.607
 Raman3 Fr= 1--      14.606                  6.469                  1.354
 ROA3   Fr= 1--     161.872                  4.244                 19.807
 CID3   Fr= 1--      11.083                  0.656                 14.623
 RC180  Fr= 1--      -0.702                  0.704                  0.101
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05  -0.04     0.00  -0.00  -0.03    -0.01   0.02   0.08
     2   6     0.07  -0.02   0.03    -0.01   0.01   0.11     0.01   0.00  -0.02
     3   6    -0.12   0.09   0.00    -0.00   0.00   0.01     0.01  -0.01  -0.17
     4   6    -0.00  -0.02   0.05     0.00   0.00   0.02     0.00   0.01   0.07
     5   6    -0.07  -0.03  -0.03    -0.00  -0.01  -0.05    -0.02  -0.02   0.00
     6   6    -0.04   0.01  -0.03     0.00  -0.00  -0.05    -0.01   0.00   0.02
     7   6     0.02  -0.02   0.02    -0.00   0.00   0.02    -0.00  -0.01   0.00
     8   1    -0.27   0.04  -0.19    -0.00   0.00  -0.00    -0.08   0.11   0.88
     9   1    -0.09  -0.00   0.10    -0.03   0.04   0.36    -0.02  -0.01  -0.02
    10   1    -0.12   0.02   0.19    -0.01   0.02   0.16     0.01  -0.00  -0.07
    11   6     0.16   0.06  -0.11     0.00   0.00   0.00     0.01   0.02   0.01
    12   6     0.05   0.01  -0.06    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    13   6    -0.05  -0.10   0.05     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    14   1     0.22   0.06  -0.01     0.01   0.00   0.02     0.01   0.02   0.02
    15   1     0.02   0.02   0.31    -0.01  -0.00   0.00    -0.01  -0.02   0.02
    16   1    -0.31  -0.24  -0.35    -0.02  -0.02  -0.02    -0.06  -0.05  -0.08
    17   1    -0.06   0.03   0.22    -0.00  -0.00   0.01    -0.02  -0.01   0.02
    18   8    -0.10  -0.02  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8     0.07   0.04   0.10     0.00   0.00   0.00     0.01   0.00   0.01
    20   1     0.04   0.03  -0.11     0.00  -0.01   0.00    -0.00   0.03   0.00
    21   6     0.03  -0.02   0.02     0.00  -0.01  -0.03    -0.00  -0.02  -0.05
    22   6     0.05   0.02  -0.03    -0.01   0.01   0.09     0.01   0.00   0.02
    23   6     0.14  -0.06   0.04     0.02  -0.02  -0.18     0.02   0.00   0.00
    24   8    -0.02   0.05  -0.00     0.00   0.00  -0.02    -0.00   0.01  -0.01
    25   6    -0.07  -0.04  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    26   1     0.14   0.00  -0.05     0.01  -0.00  -0.03     0.03  -0.01  -0.12
    27   1     0.02  -0.02  -0.11    -0.01   0.00   0.04    -0.04   0.03   0.34
    28   1     0.29  -0.05  -0.13    -0.06   0.09   0.87     0.03   0.01   0.04
    29   1    -0.03  -0.03   0.00     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    30   1    -0.03  -0.04   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.09  -0.08  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    937.7349               948.3059               978.3158
 Red. masses --      4.3978                 1.3319                 1.6526
 Frc consts  --      2.2785                 0.7057                 0.9319
 IR Inten    --     10.4377                 1.8608                 1.6245
 RamAct Fr= 1--      5.6094                 1.0016                 7.4807
  Dep-P Fr= 1--      0.2927                 0.6561                 0.2086
  Dep-U Fr= 1--      0.4529                 0.7923                 0.3452
 Alpha2 Fr= 1--      0.0588                 0.0017                 0.0993
 Beta2  Fr= 1--      0.4234                 0.1323                 0.4304
 AlphaG Fr= 1--     -0.0282                 0.0194                -0.3554
 Gamma2 Fr= 1--     -4.4023                -0.0404                -2.9713
 Delta2 Fr= 1--      0.2366                -0.1579                -0.4834
 Raman1 Fr= 1--      22.437                  4.006                 29.923
 ROA1   Fr= 1--    -415.046                 -8.929               -300.710
 CID1   Fr= 1--     -18.498                 -2.229                -10.049
 Raman2 Fr= 1--       5.080                  1.587                  5.165
 ROA2   Fr= 1--    -107.547                  0.294                -67.444
 CID2   Fr= 1--     -21.169                  0.185                -13.058
 Raman3 Fr= 1--      10.161                  3.174                 10.330
 ROA3   Fr= 1--    -415.046                 -8.929               -300.710
 CID3   Fr= 1--     -40.847                 -2.813                -29.111
 RC180  Fr= 1--      -0.094                  0.585                 -0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.06   0.01    -0.01   0.00   0.03    -0.01  -0.01  -0.01
     2   6    -0.06  -0.07   0.00    -0.00  -0.00   0.01     0.00   0.01  -0.02
     3   6    -0.13  -0.13  -0.02    -0.00  -0.01  -0.05    -0.00   0.07   0.01
     4   6    -0.13  -0.02   0.01    -0.01   0.00   0.02     0.03  -0.01   0.01
     5   6     0.17   0.20  -0.01     0.01   0.01  -0.01    -0.02  -0.07  -0.10
     6   6     0.05   0.01  -0.01     0.00   0.00   0.00    -0.01   0.07   0.10
     7   6     0.04   0.04   0.02     0.01  -0.01  -0.12    -0.01  -0.05   0.01
     8   1    -0.19  -0.13   0.12    -0.03   0.02   0.24     0.00   0.06  -0.07
     9   1     0.27   0.11  -0.01     0.01   0.01   0.08    -0.05  -0.02   0.64
    10   1    -0.21  -0.03   0.05    -0.01  -0.00  -0.03     0.16   0.01  -0.63
    11   6     0.05  -0.02  -0.08     0.01   0.00   0.00     0.01  -0.00   0.03
    12   6     0.08   0.02   0.01     0.00  -0.00  -0.01    -0.03   0.00  -0.02
    13   6    -0.01  -0.03   0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.16  -0.02  -0.10     0.01   0.00   0.01     0.04   0.01   0.10
    15   1     0.08   0.11   0.31    -0.00   0.00   0.02    -0.04  -0.07  -0.09
    16   1    -0.16  -0.07  -0.15    -0.02  -0.02  -0.03     0.01  -0.04  -0.02
    17   1    -0.07   0.03   0.12    -0.01   0.00   0.01     0.05   0.00   0.04
    18   8    -0.03  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8     0.02   0.01   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.01
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00    -0.00  -0.01  -0.01
    21   6     0.16   0.20  -0.03     0.00   0.02   0.09     0.04   0.08  -0.01
    22   6    -0.12  -0.02  -0.00    -0.01  -0.00  -0.00    -0.02  -0.00  -0.01
    23   6    -0.14  -0.13  -0.00    -0.00  -0.01  -0.01    -0.01  -0.08   0.03
    24   8    -0.00  -0.08   0.01    -0.00  -0.00   0.00    -0.00  -0.02   0.00
    25   6     0.11   0.08   0.00     0.00   0.00   0.00     0.02   0.01   0.00
    26   1    -0.17  -0.02  -0.16    -0.07   0.08   0.74    -0.14  -0.08  -0.06
    27   1     0.23   0.14   0.14     0.06  -0.05  -0.58    -0.01   0.13   0.00
    28   1    -0.23  -0.15   0.02    -0.01  -0.00   0.05    -0.03  -0.10  -0.07
    29   1     0.05   0.06  -0.01     0.01   0.01   0.00     0.00   0.01  -0.00
    30   1     0.05   0.06   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    31   1     0.13   0.12   0.00     0.01   0.00  -0.02     0.03   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.3636              1011.2234              1069.8029
 Red. masses --      2.3418                 1.7381                 3.6666
 Frc consts  --      1.3288                 1.0472                 2.4724
 IR Inten    --      1.8293                 6.1291                56.9896
 RamAct Fr= 1--     13.4118                 2.5704                 4.2056
  Dep-P Fr= 1--      0.1498                 0.3796                 0.0721
  Dep-U Fr= 1--      0.2606                 0.5503                 0.1344
 Alpha2 Fr= 1--      0.2074                 0.0205                 0.0788
 Beta2  Fr= 1--      0.5824                 0.2357                 0.0942
 AlphaG Fr= 1--      0.3357                 0.0125                 0.0010
 Gamma2 Fr= 1--      3.3082                 0.5296                 0.0830
 Delta2 Fr= 1--      0.9124                -0.5363                 0.0380
 Raman1 Fr= 1--      53.647                 10.282                 16.822
 ROA1   Fr= 1--     346.780                 33.676                  9.185
 CID1   Fr= 1--       6.464                  3.275                  0.546
 Raman2 Fr= 1--       6.989                  2.829                  1.131
 ROA2   Fr= 1--      72.097                 17.000                  1.688
 CID2   Fr= 1--      10.316                  6.010                  1.493
 Raman3 Fr= 1--      13.978                  5.658                  2.261
 ROA3   Fr= 1--     346.780                 33.676                  9.185
 CID3   Fr= 1--      24.808                  5.952                  4.062
 RC180  Fr= 1--      -0.479                  0.101                 -0.731
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.02   0.01  -0.00    -0.02  -0.01  -0.00
     2   6    -0.00  -0.02  -0.01    -0.02  -0.02  -0.00    -0.06   0.05  -0.01
     3   6    -0.01  -0.13   0.02    -0.01  -0.03   0.01     0.02  -0.05   0.01
     4   6    -0.06   0.01   0.01     0.05  -0.07  -0.01     0.01   0.00   0.00
     5   6     0.06   0.11  -0.10     0.03   0.10   0.01     0.03   0.04  -0.00
     6   6    -0.02  -0.08   0.09    -0.03   0.02  -0.01    -0.00  -0.04   0.00
     7   6     0.02   0.09  -0.00     0.01   0.01   0.00    -0.03   0.03  -0.01
     8   1    -0.02  -0.14  -0.01    -0.13  -0.06  -0.04     0.04  -0.05   0.01
     9   1    -0.04   0.24   0.51    -0.02   0.16  -0.11    -0.04   0.11  -0.01
    10   1    -0.19  -0.20  -0.50    -0.22  -0.02   0.02     0.02  -0.04   0.00
    11   6     0.00  -0.01  -0.03     0.06  -0.05   0.12    -0.00   0.01  -0.00
    12   6     0.03  -0.00   0.01    -0.08   0.03  -0.10    -0.01  -0.01   0.01
    13   6    -0.00  -0.01  -0.00    -0.01   0.07   0.01     0.00  -0.01   0.00
    14   1    -0.01  -0.01  -0.08     0.39  -0.01   0.48    -0.00   0.01  -0.03
    15   1     0.05   0.09   0.15    -0.18  -0.34  -0.29     0.00   0.01  -0.02
    16   1    -0.05   0.02  -0.03    -0.00  -0.26  -0.14     0.02   0.03   0.03
    17   1    -0.06   0.00  -0.01     0.21   0.03   0.27    -0.00  -0.01  -0.03
    18   8    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00   0.00   0.00
    19   8     0.01   0.00   0.01    -0.01  -0.01  -0.03     0.00   0.00  -0.00
    20   1     0.01   0.00   0.02    -0.01  -0.02  -0.01     0.00  -0.00   0.00
    21   6    -0.06  -0.14   0.01    -0.00  -0.01   0.00     0.04   0.10  -0.01
    22   6     0.04   0.00  -0.00     0.01   0.00   0.00     0.15  -0.08   0.02
    23   6     0.01   0.14  -0.00     0.01   0.01  -0.00    -0.05  -0.08   0.00
    24   8     0.00   0.03  -0.00     0.00   0.01  -0.00     0.19   0.19  -0.00
    25   6    -0.03  -0.02  -0.00    -0.01  -0.00  -0.00    -0.21  -0.18   0.00
    26   1     0.26   0.13  -0.03     0.06   0.02   0.00    -0.24  -0.02  -0.02
    27   1     0.03  -0.23   0.03    -0.00  -0.01   0.00    -0.08   0.25  -0.03
    28   1     0.07   0.15  -0.07     0.05   0.03   0.00    -0.67  -0.24  -0.03
    29   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13   0.02
    30   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13  -0.01
    31   1    -0.05  -0.05   0.00    -0.01  -0.01   0.00    -0.18  -0.14   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1088.3007              1103.8713              1165.9612
 Red. masses --      1.7831                 2.5888                 1.6234
 Frc consts  --      1.2443                 1.8586                 1.3003
 IR Inten    --     14.6257                10.3216                20.9241
 RamAct Fr= 1--      2.6438                 9.4872                 1.6350
  Dep-P Fr= 1--      0.2219                 0.3334                 0.7244
  Dep-U Fr= 1--      0.3632                 0.5001                 0.8402
 Alpha2 Fr= 1--      0.0339                 0.0878                 0.0007
 Beta2  Fr= 1--      0.1600                 0.7908                 0.2290
 AlphaG Fr= 1--     -0.0208                 0.1203                 0.0024
 Gamma2 Fr= 1--      0.1784                -0.2407                 3.0809
 Delta2 Fr= 1--     -0.7312                 0.9770                 4.9098
 Raman1 Fr= 1--      10.575                 37.949                  6.540
 ROA1   Fr= 1--      -6.271                  8.154                452.877
 CID1   Fr= 1--      -0.593                  0.215                 69.245
 Raman2 Fr= 1--       1.920                  9.489                  2.747
 ROA2   Fr= 1--      10.131                -13.593                 34.663
 CID2   Fr= 1--       5.276                 -1.432                 12.616
 Raman3 Fr= 1--       3.840                 18.978                  5.495
 ROA3   Fr= 1--      -6.271                  8.154                452.877
 CID3   Fr= 1--      -1.633                  0.430                 82.419
 RC180  Fr= 1--      -0.274                  0.000                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.03   0.02  -0.00    -0.01   0.08  -0.01
     2   6     0.01   0.01  -0.00     0.01   0.00  -0.00     0.01   0.06  -0.01
     3   6    -0.01   0.00   0.01    -0.04  -0.05   0.01     0.02  -0.07   0.01
     4   6    -0.06   0.05  -0.06     0.04  -0.01  -0.02     0.05  -0.02  -0.00
     5   6    -0.01  -0.04   0.01     0.02   0.03   0.00    -0.02   0.04  -0.01
     6   6     0.02  -0.02   0.00    -0.00  -0.00   0.00     0.02  -0.06   0.01
     7   6    -0.00   0.01  -0.00    -0.00  -0.01   0.00     0.03  -0.07   0.01
     8   1     0.13   0.02  -0.05    -0.25  -0.11  -0.04    -0.20  -0.13  -0.02
     9   1     0.03  -0.10  -0.02    -0.03   0.08  -0.01    -0.32   0.36  -0.07
    10   1     0.12  -0.00   0.00    -0.09  -0.02  -0.01     0.16  -0.03   0.01
    11   6    -0.03   0.01   0.13     0.13   0.20   0.13    -0.05   0.01   0.01
    12   6     0.10  -0.04  -0.11    -0.07  -0.16  -0.04     0.02  -0.01  -0.00
    13   6     0.00   0.07   0.06     0.03  -0.07   0.12    -0.01   0.01  -0.07
    14   1    -0.27   0.03   0.33     0.10   0.17  -0.19    -0.22   0.02   0.09
    15   1     0.10   0.12   0.47     0.05   0.19  -0.16     0.03   0.03   0.09
    16   1    -0.38  -0.16  -0.43     0.06   0.26   0.16    -0.06   0.00  -0.04
    17   1    -0.29  -0.02   0.05    -0.22  -0.18  -0.61    -0.07  -0.00  -0.00
    18   8     0.04   0.00  -0.01     0.00   0.01  -0.00    -0.01  -0.01   0.00
    19   8    -0.03  -0.02  -0.05    -0.04  -0.00  -0.07     0.02   0.01   0.02
    20   1    -0.03  -0.01  -0.06    -0.07  -0.03  -0.27     0.05   0.03   0.19
    21   6     0.01  -0.00   0.00     0.02   0.01   0.00    -0.04   0.04  -0.01
    22   6     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    23   6    -0.01   0.01  -0.00     0.01  -0.02   0.00     0.03  -0.06   0.01
    24   8     0.00   0.00  -0.00    -0.02  -0.01  -0.00    -0.06  -0.02  -0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.04   0.03   0.00
    26   1    -0.04   0.01  -0.00     0.04  -0.01   0.00     0.34  -0.01   0.03
    27   1     0.04  -0.04   0.01    -0.00   0.03  -0.00    -0.42   0.44  -0.08
    28   1    -0.06  -0.01  -0.00     0.03  -0.01   0.00    -0.07  -0.09   0.00
    29   1     0.00  -0.00   0.00     0.01   0.01  -0.00    -0.01   0.01  -0.01
    30   1     0.00  -0.00   0.00     0.01   0.01   0.00     0.00   0.02  -0.00
    31   1    -0.01  -0.00   0.00     0.01   0.01   0.00     0.00  -0.02  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5447              1177.3261              1184.8988
 Red. masses --      1.2709                 2.2582                 1.5629
 Frc consts  --      1.0295                 1.8442                 1.2928
 IR Inten    --      0.9501                54.7240                34.9415
 RamAct Fr= 1--      0.8854                24.0537                 3.4762
  Dep-P Fr= 1--      0.7471                 0.4811                 0.2110
  Dep-U Fr= 1--      0.8552                 0.6496                 0.3484
 Alpha2 Fr= 1--      0.0000                 0.1294                 0.0458
 Beta2  Fr= 1--      0.1262                 2.6043                 0.2019
 AlphaG Fr= 1--     -0.0065                -0.0930                -0.0096
 Gamma2 Fr= 1--     -0.1251               -12.8897                -0.0722
 Delta2 Fr= 1--     -0.1177                -5.7555                 0.0437
 Raman1 Fr= 1--       3.542                 96.215                 13.905
 ROA1   Fr= 1--     -15.778              -1421.581                 -5.530
 CID1   Fr= 1--      -4.455                -14.775                 -0.398
 Raman2 Fr= 1--       1.515                 31.252                  2.422
 ROA2   Fr= 1--      -2.061               -263.308                 -2.082
 CID2   Fr= 1--      -1.361                 -8.425                 -0.859
 Raman3 Fr= 1--       3.029                 62.504                  4.845
 ROA3   Fr= 1--     -15.778              -1421.581                 -5.530
 CID3   Fr= 1--      -5.209                -22.744                 -1.142
 RC180  Fr= 1--       0.710                  0.299                 -0.303
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.02  -0.00     0.01   0.03  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.03  -0.00    -0.08  -0.05  -0.00
     3   6     0.00  -0.00   0.00     0.02  -0.01  -0.01     0.03   0.02   0.00
     4   6     0.00  -0.00  -0.00    -0.05   0.01   0.02     0.01  -0.03   0.00
     5   6    -0.00   0.00   0.00    -0.02   0.01  -0.01     0.05  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.02  -0.03   0.00    -0.02   0.05  -0.01
     7   6     0.00  -0.00   0.00     0.02  -0.02   0.00     0.05  -0.03   0.01
     8   1    -0.00  -0.00  -0.00     0.18   0.03   0.05    -0.01   0.01  -0.00
     9   1    -0.00   0.00  -0.00    -0.13   0.12  -0.00     0.33  -0.30   0.06
    10   1     0.00  -0.00  -0.00     0.15  -0.01   0.02    -0.21   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.01  -0.06  -0.09    -0.03   0.01   0.00
    12   6     0.00  -0.00  -0.00     0.01   0.07   0.01     0.01  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.04  -0.01   0.24     0.00  -0.00   0.01
    14   1    -0.00   0.00   0.00     0.17  -0.08  -0.29    -0.06   0.01  -0.03
    15   1     0.00   0.00   0.00    -0.04  -0.11  -0.03     0.02   0.03   0.05
    16   1    -0.00   0.00  -0.00     0.03  -0.11  -0.03    -0.03   0.01  -0.03
    17   1    -0.00  -0.00  -0.00     0.14   0.08   0.21    -0.03  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.06   0.02  -0.02     0.01   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.08  -0.02  -0.06    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.01    -0.16  -0.08  -0.62    -0.01  -0.00  -0.02
    21   6    -0.00   0.00   0.00    -0.02   0.02  -0.00    -0.06  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.02  -0.01   0.00    -0.06   0.05  -0.01
    23   6     0.00  -0.00  -0.00     0.01  -0.02   0.00    -0.04  -0.03   0.00
    24   8    -0.01   0.01   0.06    -0.03  -0.01  -0.00     0.05   0.05  -0.00
    25   6     0.01  -0.01  -0.14     0.01   0.02  -0.00     0.02  -0.10   0.01
    26   1     0.00  -0.00  -0.00     0.23   0.03   0.02     0.44   0.05   0.03
    27   1    -0.00   0.00   0.01    -0.22   0.23  -0.04    -0.25   0.20  -0.04
    28   1    -0.00   0.00   0.01    -0.06  -0.04   0.00     0.27   0.04   0.02
    29   1     0.44   0.48   0.17     0.02   0.01  -0.00    -0.25  -0.01   0.04
    30   1    -0.47  -0.44   0.19     0.01  -0.00   0.01    -0.24  -0.02  -0.07
    31   1    -0.02   0.03   0.28    -0.03  -0.04   0.01     0.30   0.31  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.0584              1200.7887              1213.9668
 Red. masses --      1.4851                 1.3469                 1.6612
 Frc consts  --      1.2371                 1.1442                 1.4424
 IR Inten    --     38.3792                28.9384                30.9831
 RamAct Fr= 1--      2.3833                67.3955                47.4210
  Dep-P Fr= 1--      0.7490                 0.2661                 0.2689
  Dep-U Fr= 1--      0.8565                 0.4203                 0.4238
 Alpha2 Fr= 1--      0.0000                 0.7632                 0.5328
 Beta2  Fr= 1--      0.3402                 4.7215                 3.3493
 AlphaG Fr= 1--      0.0003                -0.0012                -0.0269
 Gamma2 Fr= 1--      2.9852                 6.1938                -1.7916
 Delta2 Fr= 1--      0.1298                 3.2549                -0.3795
 Raman1 Fr= 1--       9.533                269.582                189.684
 ROA1   Fr= 1--     290.730                698.763               -184.137
 CID1   Fr= 1--      30.497                  2.592                 -0.971
 Raman2 Fr= 1--       4.083                 56.659                 40.192
 ROA2   Fr= 1--      70.606                122.612                -39.963
 CID2   Fr= 1--      17.295                  2.164                 -0.994
 Raman3 Fr= 1--       8.165                113.317                 80.384
 ROA3   Fr= 1--     290.730                698.763               -184.137
 CID3   Fr= 1--      35.607                  6.166                 -2.291
 RC180  Fr= 1--       0.713                 -0.159                 -0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.04  -0.00    -0.05  -0.02  -0.00    -0.01   0.02  -0.00
     2   6    -0.10  -0.01  -0.01    -0.02  -0.02   0.00    -0.09  -0.04  -0.00
     3   6     0.01  -0.02   0.00     0.02   0.03   0.00     0.03   0.00   0.00
     4   6    -0.04  -0.01  -0.00    -0.07   0.01  -0.01     0.10  -0.06   0.01
     5   6    -0.04   0.03  -0.01     0.00  -0.02   0.00     0.04   0.02   0.00
     6   6     0.06   0.01   0.00    -0.00   0.00  -0.00    -0.01   0.06  -0.01
     7   6     0.03   0.02   0.00     0.03   0.03  -0.00     0.00  -0.00   0.00
     8   1     0.31   0.05   0.01     0.45   0.13   0.01    -0.36  -0.09  -0.02
     9   1    -0.23   0.24  -0.05     0.24  -0.27   0.04     0.12  -0.06   0.02
    10   1     0.65   0.14   0.04    -0.16  -0.03  -0.01    -0.07   0.05  -0.01
    11   6     0.02   0.01   0.02     0.04   0.01   0.03    -0.07   0.02  -0.02
    12   6    -0.01  -0.02  -0.00    -0.01  -0.03  -0.00     0.03   0.02  -0.00
    13   6    -0.00  -0.01  -0.02    -0.00  -0.01  -0.04     0.01   0.00   0.03
    14   1     0.16   0.01   0.02     0.22   0.01   0.06    -0.31   0.01  -0.08
    15   1     0.00   0.01  -0.01     0.01   0.03  -0.02     0.02   0.01   0.07
    16   1     0.01   0.02   0.02     0.02   0.04   0.04    -0.06  -0.01  -0.06
    17   1    -0.01  -0.02  -0.05    -0.01  -0.03  -0.08    -0.04   0.02   0.06
    18   8    -0.01  -0.00   0.00    -0.02  -0.00   0.00     0.02   0.01  -0.01
    19   8     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.00  -0.01
    20   1     0.02   0.02   0.08     0.03   0.02   0.10    -0.02  -0.01  -0.09
    21   6     0.00   0.02  -0.00    -0.02   0.03  -0.01    -0.01   0.02  -0.00
    22   6    -0.06  -0.02  -0.00     0.05  -0.04   0.01    -0.01  -0.04   0.00
    23   6     0.02  -0.01   0.00     0.01   0.01   0.00     0.00   0.00  -0.00
    24   8     0.05   0.01   0.00    -0.02  -0.03   0.00     0.06  -0.03   0.01
    25   6    -0.03  -0.03   0.00    -0.03   0.07  -0.01    -0.08   0.06  -0.01
    26   1     0.14   0.05   0.01     0.38   0.11   0.02    -0.11  -0.03  -0.01
    27   1     0.13  -0.11   0.02    -0.24   0.27  -0.05    -0.04   0.05  -0.01
    28   1     0.46   0.10   0.03    -0.12  -0.03  -0.01     0.41   0.10   0.02
    29   1     0.00  -0.01   0.01     0.20   0.00  -0.03     0.31  -0.01  -0.03
    30   1     0.01  -0.01  -0.01     0.19   0.01   0.06     0.30  -0.00   0.08
    31   1     0.02   0.04  -0.00    -0.25  -0.27   0.01    -0.36  -0.35   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1280.1118              1284.2062              1296.2470
 Red. masses --      2.4248                 1.5381                 1.7678
 Frc consts  --      2.3411                 1.4946                 1.7501
 IR Inten    --     45.4043                31.7148                24.1869
 RamAct Fr= 1--      9.7736                 5.9468                 2.9813
  Dep-P Fr= 1--      0.3115                 0.7490                 0.5462
  Dep-U Fr= 1--      0.4750                 0.8565                 0.7065
 Alpha2 Fr= 1--      0.0968                 0.0001                 0.0116
 Beta2  Fr= 1--      0.7738                 0.8489                 0.3511
 AlphaG Fr= 1--     -0.0623                -0.0004                -0.0035
 Gamma2 Fr= 1--     -0.0396                -5.4510                11.6846
 Delta2 Fr= 1--     -0.0245                 0.1546                -0.4319
 Raman1 Fr= 1--      39.094                 23.787                 11.925
 ROA1   Fr= 1--      -4.586               -518.349               1107.903
 CID1   Fr= 1--      -0.117                -21.791                 92.904
 Raman2 Fr= 1--       9.285                 10.187                  4.213
 ROA2   Fr= 1--      -0.754               -132.061                283.886
 CID2   Fr= 1--      -0.081                -12.964                 67.386
 Raman3 Fr= 1--      18.571                 20.374                  8.426
 ROA3   Fr= 1--      -4.586               -518.349               1107.903
 CID3   Fr= 1--      -0.247                -25.442                131.491
 RC180  Fr= 1--      -0.050                  0.713                  0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22   0.06   0.01     0.02   0.05  -0.00    -0.05   0.13  -0.02
     2   6     0.01   0.02  -0.00    -0.00   0.03  -0.00    -0.03   0.14  -0.02
     3   6    -0.04  -0.00  -0.00     0.03   0.03   0.00     0.03  -0.06   0.01
     4   6    -0.15   0.13  -0.02     0.01  -0.08  -0.00    -0.03   0.01   0.00
     5   6    -0.00   0.00  -0.00     0.01   0.01  -0.00     0.03  -0.01   0.00
     6   6    -0.02  -0.06   0.01    -0.00  -0.01   0.00    -0.02  -0.06   0.01
     7   6     0.02  -0.05   0.01     0.00  -0.03   0.00    -0.02  -0.05   0.00
     8   1    -0.37  -0.07  -0.02     0.19   0.07  -0.01     0.45   0.03   0.04
     9   1     0.12  -0.14   0.02    -0.08   0.10  -0.01     0.08  -0.07   0.01
    10   1     0.34   0.01   0.03    -0.21  -0.05  -0.01    -0.35  -0.14  -0.02
    11   6     0.07  -0.03   0.01    -0.14   0.03   0.05     0.03  -0.01  -0.04
    12   6    -0.03  -0.01  -0.00     0.05  -0.00  -0.02    -0.01  -0.02   0.01
    13   6    -0.00  -0.00   0.01     0.02  -0.05   0.04    -0.01   0.02  -0.04
    14   1     0.37  -0.02   0.06     0.63  -0.01  -0.39    -0.09   0.02   0.29
    15   1    -0.02   0.00  -0.04     0.03  -0.00   0.14     0.02   0.05  -0.02
    16   1     0.07  -0.00   0.05    -0.11   0.01  -0.10     0.03   0.04   0.05
    17   1     0.07  -0.01  -0.02    -0.13   0.00   0.04     0.02  -0.02  -0.04
    18   8    -0.02  -0.01   0.00    -0.02   0.00  -0.01     0.02   0.00   0.01
    19   8     0.01   0.00  -0.02     0.01   0.01  -0.04    -0.01  -0.00   0.03
    20   1     0.04   0.02   0.17     0.07   0.05   0.39    -0.05  -0.03  -0.28
    21   6    -0.05  -0.04   0.00    -0.00  -0.01   0.00     0.04  -0.00   0.00
    22   6    -0.05   0.03  -0.01    -0.00  -0.01   0.00    -0.00  -0.03   0.00
    23   6    -0.07  -0.02  -0.00     0.01  -0.00   0.00     0.03  -0.06   0.01
    24   8     0.07  -0.01   0.01    -0.01   0.00  -0.00    -0.01   0.01  -0.00
    25   6    -0.04   0.00  -0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    26   1    -0.26  -0.13  -0.01    -0.26  -0.09  -0.01    -0.39  -0.13  -0.02
    27   1    -0.32   0.24  -0.05    -0.00  -0.00   0.00     0.03   0.01   0.00
    28   1     0.29   0.07   0.02     0.07   0.01   0.01     0.47   0.05   0.03
    29   1     0.11  -0.00  -0.00    -0.01   0.00   0.00    -0.02   0.00   0.00
    30   1     0.11  -0.00   0.02    -0.01   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.11  -0.11   0.00     0.02   0.01  -0.00     0.02   0.01  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.7568              1310.3905              1340.5377
 Red. masses --      2.5313                 1.6577                 1.7942
 Frc consts  --      2.5467                 1.6771                 1.8997
 IR Inten    --    237.6773               173.7708               124.7663
 RamAct Fr= 1--     36.6103                 7.7814                 5.4123
  Dep-P Fr= 1--      0.2089                 0.2539                 0.6098
  Dep-U Fr= 1--      0.3456                 0.4050                 0.7576
 Alpha2 Fr= 1--      0.4855                 0.0912                 0.0140
 Beta2  Fr= 1--      2.1088                 0.5253                 0.6834
 AlphaG Fr= 1--     -0.1155                 0.1008                -0.0290
 Gamma2 Fr= 1--     -0.4478                -3.7052                -0.7590
 Delta2 Fr= 1--      0.5439                -1.0452                 1.2497
 Raman1 Fr= 1--     146.441                 31.125                 21.649
 ROA1   Fr= 1--     -25.579               -389.142                -32.876
 CID1   Fr= 1--      -0.175                -12.502                 -1.519
 Raman2 Fr= 1--      25.305                  6.303                  8.201
 ROA2   Fr= 1--     -15.098                -80.563                -28.215
 CID2   Fr= 1--      -0.597                -12.781                 -3.441
 Raman3 Fr= 1--      50.611                 12.606                 16.401
 ROA3   Fr= 1--     -25.579               -389.142                -32.876
 CID3   Fr= 1--      -0.505                -30.869                 -2.004
 RC180  Fr= 1--      -0.309                 -0.190                  0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03   0.01    -0.05   0.01  -0.01    -0.01  -0.00  -0.00
     2   6    -0.12  -0.08  -0.00    -0.04   0.02  -0.01    -0.01  -0.01   0.00
     3   6     0.02   0.04  -0.00     0.01  -0.05   0.01     0.01   0.01  -0.01
     4   6    -0.02  -0.02  -0.00     0.00   0.06  -0.00     0.01  -0.03   0.02
     5   6    -0.00   0.04  -0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.00    -0.01  -0.01   0.00     0.01   0.01  -0.00
     7   6     0.02   0.09  -0.01    -0.01   0.02  -0.00     0.00   0.00  -0.00
     8   1    -0.25  -0.02  -0.02     0.03  -0.05   0.00    -0.01   0.02   0.04
     9   1     0.17  -0.14   0.03     0.16  -0.17   0.03    -0.02   0.03   0.01
    10   1     0.34   0.11   0.02     0.03  -0.00   0.01    -0.04   0.00  -0.00
    11   6    -0.03   0.01  -0.01     0.10  -0.02   0.04    -0.02   0.01  -0.17
    12   6     0.01  -0.02   0.00    -0.03   0.05  -0.02     0.01  -0.05   0.05
    13   6    -0.00  -0.01  -0.04     0.00   0.01   0.09     0.00   0.04   0.15
    14   1     0.19   0.03   0.14    -0.44  -0.08  -0.42     0.07   0.11   0.75
    15   1     0.03   0.06   0.05    -0.08  -0.11  -0.08     0.08   0.14  -0.06
    16   1    -0.02   0.06   0.01     0.05  -0.14  -0.04    -0.02   0.12   0.08
    17   1    -0.05  -0.02  -0.03     0.13   0.06   0.11    -0.04  -0.06  -0.18
    18   8     0.02   0.01   0.01    -0.04  -0.02  -0.01    -0.02  -0.01  -0.02
    19   8    -0.01   0.00   0.04     0.02   0.00  -0.08     0.01  -0.01  -0.08
    20   1    -0.05  -0.02  -0.26     0.12   0.06   0.61     0.08   0.06   0.49
    21   6     0.02  -0.03   0.01     0.03  -0.00   0.00    -0.00   0.00  -0.00
    22   6     0.18  -0.14   0.03     0.06  -0.04   0.01     0.01  -0.01   0.00
    23   6     0.02   0.04  -0.00     0.02  -0.02   0.00     0.01   0.01  -0.00
    24   8    -0.14   0.04  -0.02    -0.05   0.01  -0.01    -0.01   0.00  -0.00
    25   6     0.09   0.00   0.01     0.03   0.00   0.00     0.00   0.00   0.00
    26   1    -0.45  -0.02  -0.04    -0.09   0.01  -0.01    -0.01   0.00   0.00
    27   1    -0.23   0.24  -0.04    -0.00   0.04  -0.00     0.00  -0.00   0.00
    28   1     0.14   0.06   0.00     0.15   0.01   0.01    -0.04  -0.00  -0.00
    29   1    -0.26  -0.00  -0.00    -0.08   0.00  -0.00    -0.01   0.00   0.00
    30   1    -0.26  -0.00  -0.04    -0.08   0.00  -0.01    -0.01   0.00  -0.00
    31   1     0.08   0.01   0.01     0.03   0.01   0.00     0.01   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1383.0869              1402.2030              1416.1768
 Red. masses --      2.5203                 2.6303                 2.0517
 Frc consts  --      2.8406                 3.0471                 2.4244
 IR Inten    --     14.1464                 4.9147                 5.2270
 RamAct Fr= 1--    114.3311                78.1887               347.9275
  Dep-P Fr= 1--      0.2146                 0.1752                 0.2149
  Dep-U Fr= 1--      0.3533                 0.2981                 0.3538
 Alpha2 Fr= 1--      1.4933                 1.1332                 4.5400
 Beta2  Fr= 1--      6.7329                 3.8849                20.5184
 AlphaG Fr= 1--      0.1970                -0.2248                -1.1565
 Gamma2 Fr= 1--      2.4839                 0.0471                -6.5086
 Delta2 Fr= 1--     -1.1243                -1.9679                 0.8458
 Raman1 Fr= 1--     457.325                312.755               1391.710
 ROA1   Fr= 1--     202.475                -58.455               -597.759
 CID1   Fr= 1--       0.443                 -0.187                 -0.430
 Raman2 Fr= 1--      80.795                 46.618                246.221
 ROA2   Fr= 1--      68.608                 16.873               -162.973
 CID2   Fr= 1--       0.849                  0.362                 -0.662
 Raman3 Fr= 1--     161.590                 93.237                492.443
 ROA3   Fr= 1--     202.475                -58.455               -597.759
 CID3   Fr= 1--       1.253                 -0.627                 -1.214
 RC180  Fr= 1--      -0.293                 -0.404                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.13  -0.02    -0.05  -0.06   0.00     0.02  -0.13   0.02
     2   6    -0.05  -0.06   0.00    -0.07   0.12  -0.02    -0.03   0.13  -0.02
     3   6     0.08  -0.07   0.02     0.11   0.02   0.01    -0.06  -0.03  -0.00
     4   6     0.04   0.08  -0.01    -0.03   0.04  -0.01     0.07   0.10  -0.01
     5   6     0.00   0.04  -0.00    -0.07   0.05  -0.01     0.07  -0.05   0.01
     6   6    -0.07  -0.02  -0.00     0.02  -0.08   0.01    -0.10  -0.02  -0.01
     7   6    -0.14  -0.05  -0.01     0.11  -0.05   0.01    -0.01   0.02  -0.00
     8   1    -0.08  -0.12   0.00    -0.49  -0.12  -0.03    -0.10  -0.05  -0.00
     9   1     0.32  -0.29   0.06     0.28  -0.34   0.06     0.07  -0.03   0.02
    10   1     0.46   0.10   0.03    -0.05  -0.11   0.01     0.03   0.01  -0.00
    11   6    -0.06  -0.02  -0.01    -0.01  -0.01   0.00    -0.04  -0.01  -0.00
    12   6     0.01  -0.01  -0.01    -0.02  -0.02  -0.03     0.06   0.04   0.10
    13   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    14   1     0.32  -0.00   0.05     0.15  -0.01   0.02     0.23  -0.01   0.00
    15   1     0.02   0.03   0.06     0.02   0.11   0.15    -0.01  -0.25  -0.45
    16   1     0.01   0.07   0.02     0.12   0.09   0.09    -0.39  -0.19  -0.26
    17   1    -0.03  -0.01   0.05     0.08  -0.01   0.14    -0.25   0.00  -0.39
    18   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.01
    20   1    -0.00   0.00  -0.01    -0.01   0.01  -0.02    -0.00  -0.00  -0.02
    21   6     0.05  -0.03   0.01    -0.13   0.11  -0.02    -0.01   0.03  -0.00
    22   6     0.10   0.17  -0.01    -0.07  -0.07   0.00     0.02  -0.03   0.00
    23   6     0.01  -0.10   0.01     0.19   0.03   0.01     0.03  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00    -0.01   0.00  -0.00
    25   6    -0.00   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00   0.00
    26   1     0.26   0.04   0.02    -0.02  -0.09   0.01     0.23   0.08   0.01
    27   1     0.30  -0.28   0.05     0.23  -0.28   0.05     0.06  -0.04   0.01
    28   1    -0.18  -0.16   0.00    -0.29  -0.08  -0.02     0.16   0.00   0.01
    29   1     0.02  -0.03  -0.03     0.08   0.01   0.02    -0.03  -0.01  -0.01
    30   1     0.01  -0.02   0.04     0.08   0.01  -0.00    -0.03  -0.00   0.00
    31   1    -0.07  -0.06   0.00     0.10   0.15  -0.01    -0.01  -0.02   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1420.1996              1456.8193              1480.0713
 Red. masses --      1.8494                 3.5640                 1.2120
 Frc consts  --      2.1978                 4.4566                 1.5643
 IR Inten    --     10.1416                 1.7040                 7.8094
 RamAct Fr= 1--    183.6640               191.9659                 5.8090
  Dep-P Fr= 1--      0.1952                 0.2840                 0.5354
  Dep-U Fr= 1--      0.3267                 0.4424                 0.6974
 Alpha2 Fr= 1--      2.5260                 2.0642                 0.0241
 Beta2  Fr= 1--      9.9994                14.1541                 0.6752
 AlphaG Fr= 1--     -0.6548                 0.2469                -0.0175
 Gamma2 Fr= 1--     -0.3617                -2.5984                 0.3873
 Delta2 Fr= 1--      2.1997                 0.8720                -0.1278
 Raman1 Fr= 1--     734.656                767.864                 23.236
 ROA1   Fr= 1--      35.665               -221.544                 33.093
 CID1   Fr= 1--       0.049                 -0.289                  1.424
 Raman2 Fr= 1--     119.993                169.850                  8.102
 ROA2   Fr= 1--     -26.278                -69.338                 10.318
 CID2   Fr= 1--      -0.219                 -0.408                  1.273
 Raman3 Fr= 1--     239.986                339.699                 16.205
 ROA3   Fr= 1--      35.665               -221.544                 33.093
 CID3   Fr= 1--       0.149                 -0.652                  2.042
 RC180  Fr= 1--      -0.347                 -0.115                  0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.11   0.01    -0.16   0.01  -0.01    -0.02  -0.00  -0.00
     2   6     0.00   0.09  -0.01     0.18  -0.03   0.02     0.01  -0.01   0.00
     3   6    -0.08  -0.03  -0.00     0.13  -0.04   0.02    -0.02  -0.01  -0.00
     4   6     0.08   0.07  -0.00     0.03   0.16  -0.01     0.03   0.01   0.00
     5   6     0.08  -0.06   0.01    -0.14  -0.03  -0.01     0.01   0.01  -0.00
     6   6    -0.08   0.01  -0.01     0.14  -0.01   0.01    -0.03  -0.00  -0.00
     7   6    -0.03   0.03  -0.01    -0.11   0.02  -0.01    -0.00   0.03  -0.00
     8   1    -0.01  -0.02  -0.00    -0.46  -0.19  -0.02     0.05   0.00   0.00
     9   1    -0.07   0.10  -0.02    -0.01  -0.20   0.02     0.05  -0.04   0.01
    10   1    -0.02   0.03  -0.01    -0.25  -0.11  -0.01     0.09   0.03   0.00
    11   6    -0.04   0.00  -0.01    -0.05  -0.03  -0.00    -0.01  -0.00  -0.00
    12   6    -0.04  -0.05  -0.10     0.01   0.00   0.01     0.00  -0.00  -0.00
    13   6     0.01  -0.00   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.16   0.01   0.04     0.36  -0.02   0.03     0.01  -0.00   0.00
    15   1     0.01   0.22   0.47    -0.01  -0.05  -0.01     0.00  -0.01  -0.03
    16   1     0.38   0.27   0.28    -0.02   0.00  -0.01    -0.02   0.07   0.00
    17   1     0.15  -0.01   0.43    -0.07   0.00  -0.02    -0.03   0.00   0.05
    18   8    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.01  -0.00   0.03    -0.01   0.01  -0.02    -0.00  -0.00  -0.00
    21   6     0.02   0.00   0.00     0.13   0.02   0.01     0.04  -0.04   0.01
    22   6     0.02  -0.02   0.00    -0.07  -0.16   0.01     0.01  -0.01   0.00
    23   6    -0.02  -0.02   0.00    -0.13   0.06  -0.02     0.01   0.01   0.00
    24   8    -0.01   0.01  -0.00     0.02   0.04  -0.00    -0.04  -0.01  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.02   0.00    -0.08  -0.06  -0.00
    26   1     0.22   0.09   0.01     0.19   0.10   0.00    -0.09   0.02  -0.01
    27   1    -0.00   0.04  -0.00    -0.04   0.23  -0.03    -0.14   0.15  -0.03
    28   1     0.22   0.04   0.01     0.33   0.19   0.01    -0.04  -0.01  -0.00
    29   1    -0.05  -0.01  -0.01    -0.05   0.05   0.04     0.44   0.24   0.18
    30   1    -0.05  -0.00  -0.00    -0.05   0.04  -0.05     0.48   0.20  -0.15
    31   1    -0.03  -0.05   0.00     0.01  -0.02   0.00     0.30   0.49  -0.02
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.0570              1496.0769              1497.9596
 Red. masses --      1.0536                 1.0466                 1.0531
 Frc consts  --      1.3819                 1.3801                 1.3922
 IR Inten    --      7.7115                 8.0834                 6.9190
 RamAct Fr= 1--      6.2525                12.3654                 6.6994
  Dep-P Fr= 1--      0.7493                 0.7495                 0.6437
  Dep-U Fr= 1--      0.8567                 0.8568                 0.7833
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0128
 Beta2  Fr= 1--      0.8927                 1.7658                 0.8746
 AlphaG Fr= 1--      0.0001                 0.0029                 0.0727
 Gamma2 Fr= 1--      0.8383                -0.1075                 3.0188
 Delta2 Fr= 1--     -1.2727                 0.0353                 2.2860
 Raman1 Fr= 1--      25.010                 49.461                 26.797
 ROA1   Fr= 1--      39.753                 -9.192                362.955
 CID1   Fr= 1--       1.589                 -0.186                 13.544
 Raman2 Fr= 1--      10.713                 21.189                 10.495
 ROA2   Fr= 1--      30.301                 -2.863                 54.162
 CID2   Fr= 1--       2.829                 -0.135                  5.161
 Raman3 Fr= 1--      21.426                 42.379                 20.990
 ROA3   Fr= 1--      39.753                 -9.192                362.955
 CID3   Fr= 1--       1.855                 -0.217                 17.292
 RC180  Fr= 1--       0.713                  0.714                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     2   6     0.02   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.00
     5   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
     9   1     0.02  -0.02   0.00    -0.00   0.00   0.00    -0.02   0.02  -0.02
    10   1     0.03  -0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6     0.02  -0.02   0.01     0.00  -0.00   0.00    -0.03  -0.00   0.02
    12   6     0.02  -0.05  -0.00    -0.00  -0.00   0.00    -0.04  -0.02   0.02
    13   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.05  -0.03  -0.06     0.00  -0.00  -0.00     0.04  -0.01  -0.04
    15   1     0.12   0.19  -0.45     0.00   0.00  -0.00     0.18   0.59  -0.06
    16   1    -0.41   0.55  -0.07    -0.00   0.00  -0.00    -0.20  -0.29  -0.18
    17   1    -0.02   0.00   0.49     0.00  -0.00   0.00     0.65  -0.03  -0.14
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.00
    24   8     0.01   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.01  -0.06    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.03   0.01   0.00
    27   1    -0.01   0.01  -0.00     0.00  -0.00  -0.02     0.01   0.00   0.00
    28   1    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.02   0.00   0.00
    29   1    -0.05  -0.01  -0.01    -0.47   0.12   0.02     0.02   0.02   0.01
    30   1    -0.05  -0.01   0.01     0.46  -0.12   0.13     0.02   0.01  -0.01
    31   1    -0.03  -0.05   0.00    -0.06   0.07   0.71     0.01   0.02  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.3767              1525.3385              1547.6485
 Red. masses --      1.0584                 2.4131                 3.3931
 Frc consts  --      1.4151                 3.3079                 4.7884
 IR Inten    --     49.2528                22.1455                80.4512
 RamAct Fr= 1--     17.5604               133.7821                19.3214
  Dep-P Fr= 1--      0.4532                 0.2658                 0.1517
  Dep-U Fr= 1--      0.6238                 0.4200                 0.2635
 Alpha2 Fr= 1--      0.1063                 1.5162                 0.2974
 Beta2  Fr= 1--      1.8256                 9.3645                 0.8485
 AlphaG Fr= 1--     -0.0072                -0.1597                -0.2218
 Gamma2 Fr= 1--      0.2459                -3.5689                -1.0021
 Delta2 Fr= 1--      0.5444                 0.6749                 0.5069
 Raman1 Fr= 1--      70.242                535.128                 77.286
 ROA1   Fr= 1--      41.025               -321.019                -79.985
 CID1   Fr= 1--       0.584                 -0.600                 -1.035
 Raman2 Fr= 1--      21.907                112.374                 10.182
 ROA2   Fr= 1--       1.546                -91.053                -28.106
 CID2   Fr= 1--       0.071                 -0.810                 -2.761
 Raman3 Fr= 1--      43.814                224.747                 20.363
 ROA3   Fr= 1--      41.025               -321.019                -79.985
 CID3   Fr= 1--       0.936                 -1.428                 -3.928
 RC180  Fr= 1--       0.248                 -0.160                 -0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.07  -0.01  -0.00    -0.15  -0.03  -0.01
     2   6     0.00   0.00  -0.00     0.14   0.02   0.01    -0.11  -0.04  -0.00
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03  -0.00     0.02  -0.07   0.01
     4   6     0.01  -0.01   0.00     0.13  -0.05   0.02     0.03   0.17  -0.02
     5   6    -0.00   0.01  -0.00    -0.05   0.12  -0.02     0.03  -0.13   0.02
     6   6    -0.01  -0.01  -0.00    -0.13  -0.07  -0.00     0.08   0.08  -0.00
     7   6     0.01  -0.00   0.00     0.07   0.04   0.00     0.16   0.10   0.00
     8   1     0.02   0.00   0.00     0.25   0.04   0.02    -0.11  -0.11   0.00
     9   1     0.03  -0.02   0.01     0.37  -0.32   0.07    -0.21   0.13  -0.03
    10   1     0.04   0.00   0.00     0.45   0.05   0.03    -0.27   0.00  -0.02
    11   6    -0.00   0.00  -0.00    -0.03   0.01  -0.01    -0.02  -0.02   0.00
    12   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.03   0.02   0.01     0.19  -0.01   0.00
    15   1    -0.00  -0.01   0.02    -0.01   0.02   0.10     0.01   0.02  -0.02
    16   1     0.01  -0.02   0.00     0.07  -0.11   0.01    -0.03   0.01  -0.01
    17   1    -0.00  -0.00  -0.01     0.04  -0.00  -0.09     0.02   0.00   0.02
    18   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.00  -0.01
    21   6    -0.00  -0.00   0.00     0.04  -0.06   0.01     0.03  -0.16   0.02
    22   6    -0.02   0.01  -0.00    -0.14  -0.01  -0.01    -0.07   0.17  -0.02
    23   6     0.01   0.00   0.00     0.03   0.05  -0.00     0.10  -0.04   0.01
    24   8     0.02  -0.01   0.00     0.05   0.01   0.00     0.03  -0.02   0.00
    25   6     0.03  -0.04   0.01     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1    -0.01  -0.01  -0.00    -0.25  -0.03  -0.02    -0.49  -0.04  -0.04
    27   1     0.01  -0.01   0.00    -0.24   0.24  -0.05    -0.37   0.24  -0.06
    28   1    -0.04  -0.01  -0.00    -0.13   0.02  -0.01    -0.29  -0.13  -0.01
    29   1    -0.18   0.54   0.30    -0.12  -0.17  -0.11    -0.08  -0.06  -0.05
    30   1    -0.11   0.46  -0.43    -0.14  -0.15   0.12    -0.09  -0.05   0.05
    31   1    -0.19  -0.34   0.02    -0.06  -0.11   0.01    -0.08  -0.12   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1608.9863              1653.8932              1676.7377
 Red. masses --      6.8811                 5.7627                 6.3546
 Frc consts  --     10.4958                 9.2874                10.5261
 IR Inten    --      7.1814               114.6351                58.0228
 RamAct Fr= 1--     70.6953                 2.2198               292.1513
  Dep-P Fr= 1--      0.4909                 0.2925                 0.3692
  Dep-U Fr= 1--      0.6585                 0.4527                 0.5393
 Alpha2 Fr= 1--      0.3641                 0.0233                 2.4074
 Beta2  Fr= 1--      7.7587                 0.1675                26.2599
 AlphaG Fr= 1--     -0.3006                 0.0207                -0.8078
 Gamma2 Fr= 1--     -0.1264                 0.5711                -6.2432
 Delta2 Fr= 1--      0.5616                 1.2071                 0.7694
 Raman1 Fr= 1--     282.781                  8.879               1168.605
 ROA1   Fr= 1--       5.842                 93.448               -574.727
 CID1   Fr= 1--       0.021                 10.525                 -0.492
 Raman2 Fr= 1--      93.104                  2.010                315.119
 ROA2   Fr= 1--      -7.526                  4.049               -155.992
 CID2   Fr= 1--      -0.081                  2.015                 -0.495
 Raman3 Fr= 1--     186.208                  4.019                630.238
 ROA3   Fr= 1--       5.842                 93.448               -574.727
 CID3   Fr= 1--       0.031                 23.251                 -0.912
 RC180  Fr= 1--       0.317                 -0.095                  0.079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.28  -0.03    -0.00   0.04  -0.00     0.26   0.05   0.02
     2   6     0.05  -0.28   0.03    -0.03  -0.01  -0.00    -0.25  -0.03  -0.02
     3   6    -0.14  -0.16   0.01     0.21   0.08   0.01    -0.24  -0.07  -0.01
     4   6     0.09   0.22  -0.02    -0.21  -0.07  -0.01     0.16   0.07   0.01
     5   6     0.15  -0.17   0.03     0.22  -0.09   0.03    -0.17   0.06  -0.02
     6   6    -0.13   0.10  -0.02    -0.22   0.03  -0.02     0.24   0.01   0.02
     7   6     0.12  -0.12   0.02    -0.22   0.00  -0.02    -0.24  -0.03  -0.02
     8   1     0.33  -0.05   0.03    -0.29  -0.01  -0.02     0.34   0.05   0.02
     9   1    -0.15   0.17  -0.03    -0.16   0.34  -0.05     0.09  -0.23   0.03
    10   1     0.16   0.18  -0.01     0.18   0.14  -0.00    -0.28  -0.12  -0.01
    11   6    -0.03  -0.02  -0.00     0.04   0.01   0.00    -0.02  -0.01  -0.00
    12   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.00
    14   1     0.16  -0.01   0.00    -0.09   0.00  -0.01     0.06  -0.01   0.01
    15   1     0.00   0.02  -0.01    -0.00  -0.01  -0.02    -0.00   0.01   0.01
    16   1    -0.01  -0.00  -0.00    -0.01   0.01  -0.00     0.01  -0.00   0.00
    17   1     0.02   0.00   0.01    -0.01   0.00   0.00     0.01  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.00  -0.01     0.01   0.00   0.02    -0.01  -0.01  -0.03
    21   6    -0.17   0.21  -0.04     0.20  -0.06   0.02     0.15  -0.03   0.02
    22   6    -0.04  -0.24   0.02    -0.22  -0.11  -0.01    -0.14  -0.08  -0.00
    23   6     0.07   0.15  -0.01     0.23   0.10   0.01     0.23   0.06   0.01
    24   8    -0.00   0.02  -0.00     0.03   0.01   0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00   0.00     0.02   0.00   0.00
    26   1    -0.11  -0.18   0.01     0.21   0.11   0.01     0.30   0.09   0.01
    27   1     0.24  -0.23   0.04    -0.12   0.30  -0.04    -0.04   0.18  -0.02
    28   1    -0.21   0.09  -0.03    -0.32  -0.02  -0.02    -0.30  -0.06  -0.02
    29   1    -0.01   0.01   0.01    -0.06  -0.05  -0.04    -0.05  -0.04  -0.03
    30   1    -0.00   0.01  -0.02    -0.07  -0.05   0.04    -0.05  -0.03   0.03
    31   1     0.04   0.03   0.00     0.00  -0.03   0.00     0.00  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0761              3010.6353              3015.2783
 Red. masses --     10.3642                 1.0347                 1.0817
 Frc consts  --     20.6307                 5.5256                 5.7943
 IR Inten    --    430.3463                65.9884                 9.8324
 RamAct Fr= 1--     23.8959               233.7532                69.7236
  Dep-P Fr= 1--      0.3221                 0.0366                 0.1514
  Dep-U Fr= 1--      0.4873                 0.0706                 0.2630
 Alpha2 Fr= 1--      0.2291                 4.7665                 1.0740
 Beta2  Fr= 1--      1.9407                 2.7514                 3.0561
 AlphaG Fr= 1--     -0.7291                -0.2200                 0.2882
 Gamma2 Fr= 1--     -3.9666                -0.6047                -0.9522
 Delta2 Fr= 1--     -0.3847                 0.4786                -0.2212
 Raman1 Fr= 1--      95.584                935.013                278.894
 ROA1   Fr= 1--    -393.100                -42.738                -98.493
 CID1   Fr= 1--      -4.113                 -0.046                 -0.353
 Raman2 Fr= 1--      23.288                 33.017                 36.674
 ROA2   Fr= 1--     -92.120                -18.341                -21.085
 CID2   Fr= 1--      -3.956                 -0.556                 -0.575
 Raman3 Fr= 1--      46.577                 66.034                 73.347
 ROA3   Fr= 1--    -393.100                -42.738                -98.493
 CID3   Fr= 1--      -8.440                 -0.647                 -1.343
 RC180  Fr= 1--      -0.025                 -0.859                 -0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.01   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.08   0.01
    12   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    13   6     0.70   0.23  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.03   0.01   0.06    -0.00   0.02  -0.00    -0.01   0.99  -0.10
    15   1     0.03   0.02  -0.05    -0.00   0.00  -0.00     0.02  -0.00  -0.00
    16   1    -0.08  -0.05  -0.07     0.00   0.00  -0.00    -0.02  -0.01   0.02
    17   1     0.02   0.01  -0.04    -0.00  -0.00   0.00     0.00  -0.08   0.01
    18   8    -0.44  -0.14   0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.06  -0.05  -0.44     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.00    -0.00  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00     0.02   0.01  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.03  -0.32   0.60     0.00   0.01  -0.01
    30   1     0.00   0.00  -0.00     0.06  -0.43  -0.51    -0.00   0.01   0.01
    31   1    -0.00  -0.00  -0.00    -0.24   0.16  -0.04     0.00  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.3508              3067.6207              3117.4061
 Red. masses --      1.0350                 1.1060                 1.1025
 Frc consts  --      5.6852                 6.1320                 6.3128
 IR Inten    --     16.6128                34.6576                15.5347
 RamAct Fr= 1--    186.7551                72.1921                37.6672
  Dep-P Fr= 1--      0.0222                 0.7499                 0.7441
  Dep-U Fr= 1--      0.0434                 0.8571                 0.8533
 Alpha2 Fr= 1--      3.9401                 0.0001                 0.0038
 Beta2  Fr= 1--      1.3501                10.3127                 5.3569
 AlphaG Fr= 1--      0.2006                -0.0287                 0.0183
 Gamma2 Fr= 1--      1.6801                -0.8499                -2.2538
 Delta2 Fr= 1--      4.3148                -1.0767                 1.7897
 Raman1 Fr= 1--     747.020                288.768                150.669
 ROA1   Fr= 1--     299.369               -116.045               -159.095
 CID1   Fr= 1--       0.401                 -0.402                 -1.056
 Raman2 Fr= 1--      16.201                123.752                 64.283
 ROA2   Fr= 1--       5.805                -11.785                -68.409
 CID2   Fr= 1--       0.358                 -0.095                 -1.064
 Raman3 Fr= 1--      32.402                247.505                128.565
 ROA3   Fr= 1--     299.369               -116.045               -159.095
 CID3   Fr= 1--       9.239                 -0.469                 -1.237
 RC180  Fr= 1--      -0.913                  0.714                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     9   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00    -0.03  -0.03   0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00    -0.03  -0.07   0.05
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.08  -0.01
    15   1     0.45  -0.16   0.03     0.00  -0.00   0.00    -0.01  -0.02   0.01
    16   1    -0.33  -0.18   0.53    -0.00  -0.00   0.00     0.34   0.17  -0.55
    17   1     0.01   0.59  -0.05     0.00   0.00  -0.00     0.00   0.73  -0.04
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.01  -0.09    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.35   0.61     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.07   0.47   0.52     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.2042              3137.6458              3153.2692
 Red. masses --      1.1020                 1.0990                 1.0896
 Frc consts  --      6.3697                 6.3744                 6.3832
 IR Inten    --     16.3975                22.9521                10.0941
 RamAct Fr= 1--    162.1734               185.1720                58.7259
  Dep-P Fr= 1--      0.5049                 0.4276                 0.2678
  Dep-U Fr= 1--      0.6710                 0.5991                 0.4224
 Alpha2 Fr= 1--      0.7827                 1.2389                 0.6619
 Beta2  Fr= 1--     18.1358                18.4887                 4.1344
 AlphaG Fr= 1--      0.0884                 0.0436                 0.0823
 Gamma2 Fr= 1--      1.3829                -0.0534                 1.1416
 Delta2 Fr= 1--     -7.5977                 0.2684                -0.3729
 Raman1 Fr= 1--     648.693                740.688                234.904
 ROA1   Fr= 1--    -110.369                  3.468                 97.660
 CID1   Fr= 1--      -0.170                  0.005                  0.416
 Raman2 Fr= 1--     217.630                221.864                 49.613
 ROA2   Fr= 1--      93.970                 -3.428                 30.381
 CID2   Fr= 1--       0.432                 -0.015                  0.612
 Raman3 Fr= 1--     435.260                443.728                 99.226
 ROA3   Fr= 1--    -110.369                  3.468                 97.660
 CID3   Fr= 1--      -0.254                  0.008                  0.984
 RC180  Fr= 1--       0.342                  0.198                 -0.155
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.08   0.01
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   1    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.21   0.96  -0.13
     9   1     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.08   0.04   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.00  -0.03   0.00     0.00   0.00  -0.00    -0.00   0.02  -0.00
    15   1     0.83  -0.28   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    16   1     0.17   0.10  -0.29    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.02  -0.31   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06  -0.01    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.09   0.01
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.01  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.08   0.17     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.01  -0.11  -0.15    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.79  -0.53   0.12     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3168.1672              3171.5869              3184.7926
 Red. masses --      1.0863                 1.0891                 1.0946
 Frc consts  --      6.4244                 6.4544                 6.5415
 IR Inten    --      2.6340                 9.2922                 8.8359
 RamAct Fr= 1--     55.2421                81.8382               104.8399
  Dep-P Fr= 1--      0.7452                 0.4106                 0.2111
  Dep-U Fr= 1--      0.8540                 0.5822                 0.3486
 Alpha2 Fr= 1--      0.0045                 0.5834                 1.3823
 Beta2  Fr= 1--      7.8627                 7.9406                 6.0910
 AlphaG Fr= 1--     -0.0172                -0.0239                -0.2958
 Gamma2 Fr= 1--      0.3680                -0.9361                 1.0579
 Delta2 Fr= 1--     -1.0620                -0.0865                 2.3247
 Raman1 Fr= 1--     220.968                327.353                419.359
 ROA1   Fr= 1--       1.342                -92.637                175.947
 CID1   Fr= 1--       0.006                 -0.283                  0.420
 Raman2 Fr= 1--      94.352                 95.287                 73.092
 ROA2   Fr= 1--      17.328                -21.775                  6.791
 CID2   Fr= 1--       0.184                 -0.229                  0.093
 Raman3 Fr= 1--     188.704                190.575                146.183
 ROA3   Fr= 1--       1.342                -92.637                175.947
 CID3   Fr= 1--       0.007                 -0.486                  1.204
 RC180  Fr= 1--       0.708                  0.164                 -0.303
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.04   0.04  -0.00    -0.00  -0.00  -0.00    -0.05  -0.04   0.00
     6   6     0.01  -0.06   0.01     0.00   0.00  -0.00     0.02  -0.06   0.01
     7   6     0.00  -0.00   0.00     0.02  -0.08   0.01     0.00  -0.00   0.00
     8   1     0.00  -0.02   0.00    -0.02   0.09  -0.01     0.00  -0.02   0.00
     9   1    -0.50  -0.47   0.01     0.01   0.01  -0.00     0.51   0.47  -0.01
    10   1    -0.15   0.70  -0.09     0.00  -0.01   0.00    -0.14   0.63  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
    17   1    -0.00  -0.04   0.00     0.00   0.00  -0.00     0.00   0.03  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.01   0.02  -0.00    -0.21   0.94  -0.12    -0.00   0.01  -0.00
    27   1    -0.00  -0.00   0.00    -0.13  -0.13   0.00     0.00   0.00  -0.00
    28   1     0.01  -0.05   0.01    -0.01   0.05  -0.01     0.06  -0.28   0.03
    29   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9315              3215.8617              3706.0682
 Red. masses --      1.0906                 1.0912                 1.0652
 Frc consts  --      6.5346                 6.6488                 8.6202
 IR Inten    --      6.1071                 6.8297               137.0503
 RamAct Fr= 1--    167.3785               142.7132               126.5256
  Dep-P Fr= 1--      0.2156                 0.2404                 0.2412
  Dep-U Fr= 1--      0.3547                 0.3876                 0.3886
 Alpha2 Fr= 1--      2.1805                 1.7372                 1.5369
 Beta2  Fr= 1--      9.8939                 9.2200                 8.1951
 AlphaG Fr= 1--     -0.0352                -0.0724                -2.6268
 Gamma2 Fr= 1--      0.1023                -0.9548               -25.2714
 Delta2 Fr= 1--      0.9684                -0.4368                -3.2083
 Raman1 Fr= 1--     669.514                570.853                506.102
 ROA1   Fr= 1--      40.805               -105.636              -2528.723
 CID1   Fr= 1--       0.061                 -0.185                 -4.996
 Raman2 Fr= 1--     118.727                110.640                 98.341
 ROA2   Fr= 1--      -5.292                -19.420               -580.848
 CID2   Fr= 1--      -0.045                 -0.176                 -5.906
 Raman3 Fr= 1--     237.454                221.281                196.683
 ROA3   Fr= 1--      40.805               -105.636              -2528.723
 CID3   Fr= 1--       0.172                 -0.477                -12.857
 RC180  Fr= 1--      -0.291                 -0.225                 -0.223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00   0.00   0.00
     8   1     0.00  -0.01   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
     9   1     0.12   0.11  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.05   0.23  -0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    17   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.01   0.01
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.96   0.21  -0.16
    21   6    -0.00   0.00  -0.00    -0.06  -0.06   0.00    -0.00   0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6     0.02  -0.08   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.01    -0.04   0.18  -0.02    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.71   0.67  -0.01     0.00   0.00   0.00
    28   1    -0.22   0.92  -0.12    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1185.959109179.664469369.68965
           X            0.99992   0.00546   0.01120
           Y           -0.00526   0.99984  -0.01704
           Z           -0.01129   0.01698   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07303     0.00944     0.00924
 Rotational constants (GHZ):           1.52176     0.19660     0.19261
 Zero-point vibrational energy     657707.9 (Joules/Mol)
                                  157.19597 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     39.84    60.54    72.38   107.20   179.97
          (Kelvin)            201.53   263.24   298.08   302.44   337.36
                              350.93   399.18   443.07   500.58   571.37
                              600.96   653.72   699.32   711.20   737.14
                              774.84   816.67   841.61   862.92   916.71
                              985.39  1003.11  1076.12  1120.80  1137.42
                             1167.55  1179.46  1199.07  1235.93  1292.72
                             1310.10  1349.19  1364.40  1407.58  1411.96
                             1454.92  1539.21  1565.82  1588.22  1677.56
                             1687.03  1693.91  1704.81  1710.79  1727.67
                             1746.63  1841.80  1847.69  1865.01  1880.13
                             1885.36  1928.73  1989.95  2017.46  2037.56
                             2043.35  2096.04  2129.49  2146.74  2152.52
                             2155.23  2167.34  2194.62  2226.72  2314.97
                             2379.58  2412.45  2644.58  4331.63  4338.31
                             4393.09  4413.62  4485.25  4506.54  4514.37
                             4536.85  4558.29  4563.21  4582.21  4588.16
                             4626.91  5332.21
 
 Zero-point correction=                           0.250508 (Hartree/Particle)
 Thermal correction to Energy=                    0.265772
 Thermal correction to Enthalpy=                  0.266717
 Thermal correction to Gibbs Free Energy=         0.206904
 Sum of electronic and zero-point Energies=           -767.720606
 Sum of electronic and thermal Energies=              -767.705341
 Sum of electronic and thermal Enthalpies=            -767.704397
 Sum of electronic and thermal Free Energies=         -767.764209
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.775             58.746            125.886
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.989
 Vibrational            164.997             52.785             50.695
 Vibration     1          0.593              1.984              5.988
 Vibration     2          0.595              1.980              5.159
 Vibration     3          0.595              1.977              4.805
 Vibration     4          0.599              1.966              4.030
 Vibration     5          0.610              1.928              3.020
 Vibration     6          0.615              1.913              2.803
 Vibration     7          0.630              1.863              2.298
 Vibration     8          0.641              1.830              2.068
 Vibration     9          0.642              1.825              2.042
 Vibration    10          0.654              1.788              1.844
 Vibration    11          0.659              1.773              1.774
 Vibration    12          0.678              1.715              1.549
 Vibration    13          0.698              1.659              1.373
 Vibration    14          0.726              1.579              1.176
 Vibration    15          0.764              1.476              0.973
 Vibration    16          0.781              1.432              0.900
 Vibration    17          0.813              1.351              0.783
 Vibration    18          0.842              1.281              0.694
 Vibration    19          0.850              1.263              0.672
 Vibration    20          0.867              1.223              0.628
 Vibration    21          0.894              1.165              0.568
 Vibration    22          0.924              1.101              0.509
 Vibration    23          0.942              1.064              0.476
 Vibration    24          0.958              1.032              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.677139D-95        -95.169322       -219.135462
 Total V=0       0.113797D+21         20.056130         46.180945
 Vib (Bot)       0.136524-109       -109.864791       -252.973030
 Vib (Bot)    1  0.747798D+01          0.873784          2.011963
 Vib (Bot)    2  0.491640D+01          0.691648          1.592577
 Vib (Bot)    3  0.410895D+01          0.613730          1.413167
 Vib (Bot)    4  0.276620D+01          0.441884          1.017475
 Vib (Bot)    5  0.163177D+01          0.212660          0.489667
 Vib (Bot)    6  0.145167D+01          0.161867          0.372711
 Vib (Bot)    7  0.109665D+01          0.040070          0.092264
 Vib (Bot)    8  0.959754D+00         -0.017840         -0.041079
 Vib (Bot)    9  0.944777D+00         -0.024671         -0.056806
 Vib (Bot)   10  0.838335D+00         -0.076582         -0.176338
 Vib (Bot)   11  0.802470D+00         -0.095571         -0.220061
 Vib (Bot)   12  0.693899D+00         -0.158704         -0.365430
 Vib (Bot)   13  0.614771D+00         -0.211287         -0.486505
 Vib (Bot)   14  0.531006D+00         -0.274901         -0.632982
 Vib (Bot)   15  0.449761D+00         -0.347018         -0.799039
 Vib (Bot)   16  0.421126D+00         -0.375588         -0.864822
 Vib (Bot)   17  0.376090D+00         -0.424709         -0.977928
 Vib (Bot)   18  0.342301D+00         -0.465591         -1.072063
 Vib (Bot)   19  0.334163D+00         -0.476042         -1.096127
 Vib (Bot)   20  0.317258D+00         -0.498588         -1.148041
 Vib (Bot)   21  0.294600D+00         -0.530767         -1.222135
 Vib (Bot)   22  0.271782D+00         -0.565779         -1.302754
 Vib (Bot)   23  0.259215D+00         -0.586341         -1.350099
 Vib (Bot)   24  0.249026D+00         -0.603756         -1.390198
 Vib (V=0)       0.229435D+06          5.360661         12.343377
 Vib (V=0)    1  0.799468D+01          0.902801          2.078776
 Vib (V=0)    2  0.544176D+01          0.735740          1.694103
 Vib (V=0)    3  0.463926D+01          0.666448          1.534554
 Vib (V=0)    4  0.331103D+01          0.519963          1.197258
 Vib (V=0)    5  0.220666D+01          0.343735          0.791479
 Vib (V=0)    6  0.203536D+01          0.308641          0.710673
 Vib (V=0)    7  0.170526D+01          0.231790          0.533717
 Vib (V=0)    8  0.158219D+01          0.199258          0.458808
 Vib (V=0)    9  0.156893D+01          0.195603          0.450392
 Vib (V=0)   10  0.147612D+01          0.169121          0.389415
 Vib (V=0)   11  0.144549D+01          0.160016          0.368451
 Vib (V=0)   12  0.135527D+01          0.132027          0.304004
 Vib (V=0)   13  0.129243D+01          0.111407          0.256523
 Vib (V=0)   14  0.122936D+01          0.089679          0.206494
 Vib (V=0)   15  0.117252D+01          0.069121          0.159156
 Vib (V=0)   16  0.115372D+01          0.062100          0.142990
 Vib (V=0)   17  0.112565D+01          0.051405          0.118365
 Vib (V=0)   18  0.110595D+01          0.043734          0.100701
 Vib (V=0)   19  0.110139D+01          0.041939          0.096569
 Vib (V=0)   20  0.109216D+01          0.038286          0.088157
 Vib (V=0)   21  0.108034D+01          0.033559          0.077272
 Vib (V=0)   22  0.106909D+01          0.029015          0.066810
 Vib (V=0)   23  0.106320D+01          0.026614          0.061282
 Vib (V=0)   24  0.105858D+01          0.024725          0.056930
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.361540D+07          6.558156         15.100713
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3          3333333333333                              111111111111111111111111111111111                                        
      7          2111111110000                              866655544444444333322222111111000999998888877766665555444433322222111    
      0          1887653316511                              3750420999852108410988108877608718743195321974983086319851940743108427542
      6          6952838278351                              8749856862070623107640419573648011888189301198757058924648788744073055028
 
      X          XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
      X                   X  X                              XXX X X         XXX  X  XXX    X                  X                      
      X                      X                              XXX X           XXX       X    X                  X                      
      X                                                     X X X           XXX                                                      
      X                                                     X X             XXX                                                      
      X                                                     X               XXX                                                      
                                                            X                XX                                                      
                                                            X                XX                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000357    0.000002268   -0.000000024
      2        6           0.000000958    0.000000033   -0.000000179
      3        6           0.000000743    0.000001229    0.000000793
      4        6          -0.000000182   -0.000006096    0.000001894
      5        6           0.000000037    0.000003236   -0.000000659
      6        6           0.000001150    0.000000128   -0.000000464
      7        6          -0.000001118   -0.000000544    0.000001368
      8        1          -0.000000469   -0.000000381    0.000000168
      9        1           0.000000477   -0.000001067    0.000000353
     10        1           0.000000568   -0.000000993   -0.000000839
     11        6          -0.000002177    0.000000170   -0.000010608
     12        6          -0.000002074    0.000002703    0.000003927
     13        6           0.000004692    0.000001380    0.000016910
     14        1           0.000001650   -0.000001079    0.000001084
     15        1          -0.000000011   -0.000001231    0.000001029
     16        1           0.000000156   -0.000000097   -0.000000240
     17        1           0.000001312   -0.000000156   -0.000000323
     18        8          -0.000004776   -0.000003094   -0.000001512
     19        8          -0.000002928   -0.000003063   -0.000009739
     20        1           0.000001096    0.000000087    0.000001754
     21        6           0.000001706   -0.000000947    0.000000705
     22        6          -0.000001250    0.000001189   -0.000002346
     23        6           0.000000458   -0.000000928   -0.000000303
     24        8           0.000002398    0.000002614    0.000001941
     25        6          -0.000004462   -0.000001212   -0.000001627
     26        1           0.000000005    0.000000584   -0.000000195
     27        1           0.000001585    0.000001369   -0.000000246
     28        1           0.000000682   -0.000000217   -0.000000979
     29        1          -0.000000366    0.000001878   -0.000000565
     30        1           0.000000161    0.000001186   -0.000000153
     31        1           0.000000339    0.000001054   -0.000000924
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016910 RMS     0.000002846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.308823D+03  0.145352D+02  0.116367D+02
      2   0.145352D+02  0.169810D+03 -0.373733D+01
      3   0.116367D+02 -0.373733D+01  0.122765D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.811654D+01  0.277893D+02  0.679382D+01
      2  -0.471252D+02  0.981837D+01  0.244587D+02
      3   0.933820D+01  0.603225D+02 -0.704311D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.342219D+03 -0.899043D+01 -0.486871D+02
      2   0.140175D+03  0.148197D+02 -0.710824D+01
      3   0.202044D+03 -0.582924D+01  0.557953D+02
      4  -0.168474D+02 -0.145044D+03  0.215850D+02
      5   0.328324D+02  0.204291D+02  0.592501D+02
      6   0.482996D+01  0.467105D+02 -0.242925D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.380573D+02  0.758812D+01  0.166602D+01 -0.490790D+02 -0.511799D+01
      2   0.758812D+01  0.347148D+01  0.282139D+00 -0.511799D+01 -0.564335D+01
      3   0.166602D+01  0.282139D+00 -0.288953D+00 -0.281763D+01  0.170654D+00
                 6             7             8             9            10 
      1  -0.281763D+01  0.791256D+01  0.130329D+01  0.175039D+01 -0.293604D+02
      2   0.170654D+00  0.130329D+01  0.687617D+00 -0.106283D+01 -0.539389D+01
      3   0.118896D+00  0.175039D+01 -0.106283D+01  0.342530D+00 -0.123897D+01
                11            12            13            14            15 
      1  -0.539389D+01 -0.123897D+01  0.531617D+02  0.624731D+01  0.316055D+01
      2  -0.590426D+00 -0.223087D+00  0.624731D+01  0.667602D+01 -0.104590D+00
      3  -0.223087D+00 -0.231129D-01  0.316055D+01 -0.104590D+00 -0.318764D+00
                16            17            18            19            20 
      1  -0.801320D+01 -0.122669D+01 -0.862016D+00 -0.501930D+02 -0.990725D+01
      2  -0.122669D+01 -0.599637D+00  0.991294D+00 -0.990725D+01 -0.944164D+01
      3  -0.862016D+00  0.991294D+00 -0.119991D+00 -0.172015D+01  0.434098D+00
                21            22            23            24            25 
      1  -0.172015D+01 -0.144105D+02 -0.191785D+01  0.133199D+00 -0.241812D+01
      2   0.434098D+00 -0.191785D+01 -0.439739D+01 -0.556414D+00  0.272570D+00
      3  -0.578437D+00  0.133199D+00 -0.556414D+00 -0.221072D+01  0.629616D+00
                26            27            28            29            30 
      1   0.272570D+00  0.629616D+00  0.477257D+02  0.410958D+01  0.144571D+01
      2  -0.111658D+01 -0.363156D+01  0.410958D+01  0.576767D+01 -0.230093D-01
      3  -0.363156D+01  0.117547D+01  0.144571D+01 -0.230093D-01  0.235252D+01
                31            32            33            34            35 
      1   0.367675D+01  0.355207D+01  0.583087D+00  0.103132D+01  0.591600D+00
      2   0.355207D+01  0.143883D+02 -0.739137D+00  0.591600D+00 -0.328486D+00
      3   0.583087D+00 -0.739137D+00  0.420756D+00  0.600141D+01  0.697138D+00
                36            37            38            39            40 
      1   0.600141D+01  0.103268D+02 -0.137520D+01  0.395206D+00  0.590814D+01
      2   0.697138D+00 -0.137520D+01  0.118065D+02 -0.872428D+00  0.676944D+00
      3   0.738202D+00  0.395206D+00 -0.872428D+00  0.256845D+01  0.479775D+00
                41            42            43            44            45 
      1   0.676944D+00  0.479775D+00  0.252403D+00  0.222918D+00  0.455527D+01
      2  -0.922481D+01  0.112410D+01  0.222918D+00  0.237425D+01  0.156766D+01
      3   0.112410D+01  0.783130D+00  0.455527D+01  0.156766D+01  0.692490D+00
                46            47            48            49            50 
      1  -0.150864D+02  0.207524D+01 -0.135938D+01  0.135791D+01  0.220307D+01
      2   0.207524D+01 -0.852284D+01  0.107380D+00  0.220307D+01  0.457552D+00
      3  -0.135938D+01  0.107380D+00 -0.170959D+01 -0.350419D+00  0.861320D+00
                51            52            53            54            55 
      1  -0.350419D+00 -0.129362D+01 -0.654322D+00 -0.891820D+00  0.438509D+01
      2   0.861320D+00 -0.654322D+00  0.189355D+00  0.428018D+01 -0.329201D+01
      3   0.187931D+01 -0.891820D+00  0.428018D+01 -0.125163D+01  0.579551D+00
                56            57            58            59            60 
      1  -0.329201D+01  0.579551D+00 -0.281789D+01 -0.365518D+01  0.380885D+00
      2   0.604276D+01 -0.420788D+00 -0.365518D+01 -0.212170D+01 -0.693583D+00
      3  -0.420788D+00  0.220314D+01  0.380885D+00 -0.693583D+00 -0.175285D+01
                61            62            63            64            65 
      1   0.718149D+00  0.491503D+00 -0.124811D+00  0.517673D+00 -0.202455D+01
      2   0.491503D+00 -0.140725D+00 -0.408059D+01 -0.202455D+01  0.100209D+01
      3  -0.124811D+00 -0.408059D+01  0.141410D+01  0.296641D+00 -0.283448D+00
                66            67            68            69            70 
      1   0.296641D+00 -0.208482D+01  0.265897D+01 -0.446343D+00  0.419280D+00
      2  -0.283448D+00  0.265897D+01 -0.775211D+01  0.108812D+01 -0.556845D+00
      3   0.170758D+00 -0.446343D+00  0.108812D+01 -0.944860D+00  0.307396D-01
                71            72            73            74            75 
      1  -0.556845D+00  0.307396D-01  0.735616D+01  0.315203D+01  0.367418D+00
      2   0.996147D+00 -0.258448D+00  0.315203D+01  0.275399D+01 -0.249958D-01
      3  -0.258448D+00  0.208335D+00  0.367418D+00 -0.249958D-01  0.644328D+00
                76            77            78            79            80 
      1   0.417327D+01  0.413118D+01 -0.148352D+00  0.370515D+00 -0.341436D+00
      2   0.413118D+01  0.421318D+01  0.106480D-01 -0.341436D+00 -0.219481D+00
      3  -0.148352D+00  0.106480D-01  0.607395D+00 -0.227128D+00  0.329621D+00
                81            82            83            84            85 
      1  -0.227128D+00 -0.755828D+00  0.137847D+01 -0.210119D+00  0.533391D+00
      2   0.329621D+00  0.137847D+01 -0.157862D+01  0.277785D+00 -0.715216D+00
      3  -0.129300D+00 -0.210119D+00  0.277785D+00 -0.166733D+00  0.581521D-01
                86            87            88            89            90 
      1  -0.715216D+00  0.581521D-01 -0.230151D+00  0.252097D+00  0.112759D+00
      2   0.107683D+02 -0.104974D+01  0.252097D+00 -0.129864D+01  0.239253D+00
      3  -0.104974D+01  0.975575D+00  0.112759D+00  0.239253D+00 -0.146333D+00
                91            92            93            94            95 
      1  -0.162130D+02 -0.192606D+01  0.929277D-01 -0.771314D+00 -0.316707D+00
      2  -0.192606D+01  0.431709D+00 -0.584223D+00 -0.316707D+00  0.514367D+01
      3   0.929277D-01 -0.584223D+00 -0.369022D+01 -0.198462D+01 -0.820207D+00
                96            97            98            99           100 
      1  -0.198462D+01 -0.114897D+00 -0.138965D+01 -0.766390D+01 -0.599343D+01
      2  -0.820207D+00 -0.138965D+01 -0.558169D+00 -0.101184D+01  0.291907D+01
      3  -0.108119D+01 -0.766390D+01 -0.101184D+01  0.482297D+00 -0.148608D+01
               101           102           103           104           105 
      1   0.291907D+01 -0.148608D+01  0.732066D+01 -0.144950D+00  0.171369D+01
      2  -0.570264D+00  0.314353D+00 -0.144950D+00 -0.490124D+01 -0.485736D-01
      3   0.314353D+00  0.389175D+01  0.171369D+01 -0.485736D-01  0.283448D+01
               106           107           108           109           110 
      1   0.417452D+01  0.106841D+01  0.550791D+01 -0.574725D+01 -0.142565D+01
      2   0.106841D+01  0.535632D+00  0.209078D+01 -0.142565D+01 -0.165090D+00
      3   0.550791D+01  0.209078D+01 -0.662934D+00  0.163662D-01  0.422131D+00
               111           112           113           114           115 
      1   0.163662D-01 -0.163731D+01 -0.103129D+00  0.112016D+01 -0.693877D+01
      2   0.422131D+00 -0.103129D+00 -0.905371D+00 -0.137794D+00  0.517966D+00
      3   0.160674D+01  0.112016D+01 -0.137794D+00  0.681050D+00  0.412250D+01
               116           117           118           119           120 
      1   0.517966D+00  0.412250D+01 -0.154623D+01 -0.111225D+01  0.667067D-01
      2  -0.106267D+01  0.288528D+00 -0.111225D+01  0.443504D+00 -0.281755D-01
      3   0.288528D+00 -0.127677D+01  0.667067D-01 -0.281755D-01  0.712584D+00
               121           122           123           124           125 
      1  -0.272081D+01  0.177611D+01 -0.637686D-01 -0.204608D+00 -0.856961D-01
      2   0.177611D+01 -0.679482D+01  0.792963D+00 -0.856961D-01  0.690231D+00
      3  -0.637686D-01  0.792963D+00 -0.150996D+01  0.116722D+01 -0.100171D+01
               126           127           128           129           130 
      1   0.116722D+01  0.141924D+02 -0.171352D+01  0.338685D+01 -0.379187D+01
      2  -0.100171D+01 -0.171352D+01  0.129561D+01 -0.266216D+00  0.173076D+01
      3   0.672730D+00  0.338685D+01 -0.266216D+00  0.205853D+01 -0.115280D+01
               131           132           133           134           135 
      1   0.173076D+01 -0.115280D+01  0.142220D+01 -0.348630D+00  0.134465D+01
      2  -0.518821D+00  0.434096D+00 -0.348630D+00 -0.353529D-01 -0.538246D+00
      3   0.434096D+00 -0.113070D+01  0.134465D+01 -0.538246D+00  0.649769D+00
               136           137           138           139           140 
      1  -0.726150D+00 -0.465103D+00  0.107563D+01 -0.115400D+01 -0.191759D-01
      2  -0.465103D+00 -0.477352D+00  0.169832D+00 -0.191759D-01 -0.142323D+00
      3   0.107563D+01  0.169832D+00 -0.332948D+01 -0.223859D+00  0.117737D+01
               141           142           143           144           145 
      1  -0.223859D+00  0.718641D+00 -0.584048D-01 -0.609167D+00  0.891492D+00
      2   0.117737D+01 -0.584048D-01  0.999103D+00 -0.924607D+00  0.884374D+00
      3  -0.192247D+01 -0.609167D+00 -0.924607D+00  0.772024D+01  0.291204D-01
               146           147           148           149           150 
      1   0.884374D+00  0.291204D-01  0.243182D+01  0.121500D+01  0.907255D+00
      2   0.473373D+00  0.790459D-01  0.121500D+01  0.654676D+01  0.112607D+01
      3   0.790459D-01 -0.377537D+00  0.907255D+00  0.112607D+01  0.169657D+01
               151           152           153           154           155 
      1  -0.641834D+00  0.158809D+00 -0.328527D+00  0.196170D+02  0.221036D+01
      2   0.158809D+00  0.579576D-01  0.688911D+00  0.221036D+01  0.160891D+01
      3  -0.328527D+00  0.688911D+00  0.245306D+00 -0.126358D+01 -0.370725D-01
               156           157           158           159           160 
      1  -0.126358D+01  0.435909D+01  0.404035D+01 -0.619123D+00 -0.213864D+01
      2  -0.370725D-01  0.404035D+01  0.208675D+01 -0.303742D+00 -0.433236D+00
      3   0.260471D+01 -0.619123D+00 -0.303742D+00  0.703613D+00  0.283760D+01
               161           162           163           164           165 
      1  -0.433236D+00  0.283760D+01  0.108175D+02  0.803447D-01 -0.377904D+01
      2   0.349020D+00  0.686809D+00  0.803447D-01 -0.287699D-01  0.364020D+00
      3   0.686809D+00  0.367360D-01 -0.377904D+01  0.364020D+00  0.739368D+00
               166           167           168           169           170 
      1   0.213043D+01 -0.155958D+00 -0.285267D+00 -0.194637D+01  0.494331D+00
      2  -0.155958D+00 -0.705103D+00 -0.148264D+01  0.494331D+00 -0.518098D+00
      3  -0.285267D+00 -0.148264D+01 -0.209105D+00  0.681930D+00 -0.872430D+00
               171           172           173           174           175 
      1   0.681930D+00 -0.959404D+01 -0.623023D-01  0.184873D+01 -0.120201D+01
      2  -0.872430D+00 -0.623023D-01 -0.321141D+00 -0.542475D+00  0.118089D+00
      3  -0.710313D+01  0.184873D+01 -0.542475D+00 -0.240383D+01  0.464028D-02
               176           177           178           179           180 
      1   0.118089D+00  0.464028D-02  0.519960D+01 -0.472275D+00 -0.201553D+01
      2  -0.703593D+00 -0.680009D+00 -0.472275D+00 -0.944904D+00  0.428322D-01
      3  -0.680009D+00 -0.534932D+00 -0.201553D+01  0.428322D-01 -0.280383D+00
               181           182           183           184           185 
      1  -0.720626D+01  0.949801D+00 -0.622061D-01 -0.131239D+02 -0.156628D+01
      2   0.949801D+00 -0.969195D+01  0.116323D+01 -0.156628D+01  0.655618D+01
      3  -0.622061D-01  0.116323D+01 -0.290973D+01 -0.118107D+01 -0.137161D+01
               186           187           188           189           190 
      1  -0.118107D+01  0.152234D+01 -0.960118D-03 -0.418709D+01 -0.429765D+02
      2  -0.137161D+01 -0.960118D-03 -0.199243D+01 -0.223822D+01 -0.464557D+01
      3  -0.130949D+01 -0.418709D+01 -0.223822D+01 -0.184963D+00 -0.166781D+01
               191           192           193           194           195 
      1  -0.464557D+01 -0.166781D+01  0.893376D+00 -0.315812D+01 -0.252472D+00
      2  -0.103041D+02  0.348711D+00 -0.315812D+01 -0.120997D+02  0.131524D+01
      3   0.348711D+00 -0.427839D+01 -0.252472D+00  0.131524D+01  0.386088D+00
               196           197           198           199           200 
      1  -0.247967D+01 -0.791179D+00 -0.717932D+01  0.411146D+02  0.869719D+01
      2  -0.791179D+00  0.350814D+00 -0.415196D+00  0.869719D+01  0.774396D+01
      3  -0.717932D+01 -0.415196D+00 -0.134070D+01  0.182917D+01 -0.674640D+00
               201           202           203           204           205 
      1   0.182917D+01  0.151283D+02  0.274013D+01  0.568819D+00  0.176725D+01
      2  -0.674640D+00  0.274013D+01  0.517663D+01  0.409761D+00  0.184682D-01
      3   0.930015D+00  0.568819D+00  0.409761D+00  0.267966D+01  0.146939D+00
               206           207           208           209           210 
      1   0.184682D-01  0.146939D+00  0.127641D+02  0.374128D+01  0.496871D+00
      2   0.112085D+01  0.441263D+01  0.374128D+01  0.334585D+01 -0.547086D-01
      3   0.441263D+01 -0.124581D+01  0.496871D+00 -0.547086D-01  0.255219D+00
               211           212           213           214           215 
      1  -0.386574D+01 -0.314430D+01  0.170232D+00  0.147726D+01  0.599294D+00
      2  -0.314430D+01  0.132749D+01 -0.484399D+00  0.599294D+00  0.245008D+00
      3   0.170232D+00 -0.484399D+00 -0.129346D+01  0.145924D+00  0.661954D+00
               216           217           218           219           220 
      1   0.145924D+00 -0.687044D+00 -0.430389D+01  0.808882D-01 -0.409841D+01
      2   0.661954D+00 -0.430389D+01 -0.106922D+00 -0.642425D+00  0.306784D+01
      3  -0.102447D-01  0.808882D-01 -0.642425D+00  0.109872D+01 -0.882756D+00
               221           222           223           224           225 
      1   0.306784D+01 -0.882756D+00  0.710227D-01 -0.806911D+00  0.284161D+01
      2   0.136680D+01  0.123260D+01 -0.806911D+00  0.854273D+00  0.438219D+01
      3   0.123260D+01  0.615189D+01  0.284161D+01  0.438219D+01 -0.118934D+01
               226           227           228           229           230 
      1   0.335741D+00 -0.133519D+01  0.173809D+00 -0.372637D+00  0.167589D+00
      2  -0.133519D+01  0.152800D+01 -0.291937D+00  0.167589D+00 -0.102125D+02
      3   0.173809D+00 -0.291937D+00  0.152387D+00 -0.601126D-03  0.105957D+01
               231           232           233           234           235 
      1  -0.601126D-03  0.672562D-01 -0.159826D+00 -0.645697D-01 -0.761031D+01
      2   0.105957D+01 -0.159826D+00  0.120779D+01 -0.219912D+00 -0.346203D+01
      3  -0.945426D+00 -0.645697D-01 -0.219912D+00  0.130794D+00 -0.225728D+00
               236           237           238           239           240 
      1  -0.346203D+01 -0.225728D+00 -0.514574D+01 -0.433052D+01  0.149774D+00
      2  -0.271494D+01  0.260622D-02 -0.433052D+01 -0.425148D+01  0.427203D-01
      3   0.260622D-02 -0.378956D+00  0.149774D+00  0.427203D-01 -0.545407D+00
               241           242           243           244           245 
      1  -0.156304D+00  0.222711D+00  0.403228D+00 -0.691603D+00  0.217991D+01
      2   0.222711D+00  0.182619D+00 -0.142285D+00  0.217991D+01 -0.161791D+01
      3   0.403228D+00 -0.142285D+00  0.123284D+00 -0.249962D+00  0.329524D+00
               246           247           248           249           250 
      1  -0.249962D+00  0.255033D+01 -0.323564D+01  0.433526D+00 -0.289575D+00
      2   0.329524D+00 -0.323564D+01  0.875551D+01 -0.104732D+01  0.520349D+00
      3  -0.310977D+00  0.433526D+00 -0.104732D+01  0.103868D+01 -0.295393D+00
               251           252           253           254           255 
      1   0.520349D+00 -0.295393D+00 -0.958253D+00 -0.410334D+00  0.168390D+01
      2  -0.107243D+01  0.196503D+00 -0.410334D+00 -0.129942D+00  0.495252D+00
      3   0.196503D+00 -0.160979D+00  0.168390D+01  0.495252D+00 -0.466738D+00
               256           257           258           259           260 
      1  -0.183929D+01 -0.186646D+01  0.133175D+01  0.511394D+01  0.150091D+01
      2  -0.186646D+01 -0.198972D+01  0.153867D+01  0.150091D+01  0.168587D+01
      3   0.133175D+01  0.153867D+01 -0.251925D+01 -0.326199D+01 -0.237027D+01
               261           262           263           264           265 
      1  -0.326199D+01  0.125190D+00 -0.398546D+00 -0.110519D+01 -0.231673D+01
      2  -0.237027D+01 -0.398546D+00  0.677289D-01 -0.138271D+00 -0.215006D+01
      3   0.540501D+01 -0.110519D+01 -0.138271D+00  0.971576D-01 -0.138669D+01
               266           267           268           269           270 
      1  -0.215006D+01 -0.138669D+01 -0.372143D+01 -0.131646D+01 -0.272209D+01
      2  -0.326466D+01 -0.246577D+01 -0.131646D+01 -0.227328D+01 -0.284707D+01
      3  -0.246577D+01 -0.319415D+01 -0.272209D+01 -0.284707D+01 -0.453313D+01
               271           272           273           274           275 
      1  -0.128808D+02  0.328756D+01 -0.116332D+01  0.680680D+01 -0.272789D+01
      2   0.328756D+01 -0.152121D+01  0.317789D+00 -0.272789D+01  0.216553D+01
      3  -0.116332D+01  0.317789D+00 -0.117369D+01  0.600280D+00 -0.398367D+00
               276           277           278           279 
      1   0.600280D+00 -0.165104D+01  0.407301D+00 -0.184634D+01
      2  -0.398367D+00  0.407301D+00 -0.365640D+00  0.589168D-01
      3   0.465639D+00 -0.184634D+01  0.589168D-01 -0.401660D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.137269D+01 -0.345451D+01  0.348784D+00 -0.313976D+01 -0.205959D+01
      2  -0.994924D+01  0.354755D+01 -0.822303D+00  0.139636D+02  0.301769D+01
      3  -0.880764D+01  0.418412D+02 -0.519226D+01  0.424154D+02  0.212336D+02
                 6             7             8             9            10 
      1  -0.815121D-01  0.430312D+01  0.725322D+01 -0.532754D+00 -0.178776D+01
      2  -0.796901D-02 -0.212081D+02 -0.214228D+01 -0.148462D+01  0.123137D+02
      3   0.201419D+00 -0.180766D+01  0.178198D+01 -0.220720D+01  0.169278D+02
                11            12            13            14            15 
      1  -0.478940D+01 -0.405177D-01 -0.376844D+01  0.725778D+00  0.776584D+00
      2   0.672701D+01 -0.497810D+01 -0.861025D+01  0.813700D+00 -0.163437D+00
      3   0.533192D+02 -0.424539D+01  0.551522D+02  0.173635D+02  0.254501D+01
                16            17            18            19            20 
      1   0.273597D+01  0.648892D+01 -0.713330D+00 -0.256734D+01  0.472491D+00
      2  -0.194501D+02 -0.454495D+00 -0.170010D+01  0.182763D+02 -0.451065D+00
      3  -0.192149D+01  0.331639D+01  0.109020D+01  0.237743D+02 -0.299730D+02
                21            22            23            24            25 
      1  -0.109267D+01  0.113938D+01 -0.203586D+01 -0.319923D+01  0.319301D+01
      2  -0.354664D+00  0.358698D+01  0.389908D+00 -0.217557D+01 -0.181985D+02
      3   0.482236D+01  0.973605D+01  0.317625D+01  0.541752D+00  0.201413D+01
                26            27            28            29            30 
      1  -0.570766D+00 -0.128740D+01 -0.142989D+01 -0.650457D+00  0.197020D+00
      2  -0.687233D+01  0.552321D+00 -0.150916D+02 -0.702421D+00  0.180301D+01
      3  -0.177528D+01  0.449050D+01 -0.562823D+00  0.508255D+01 -0.100832D+01
                31            32            33            34            35 
      1  -0.411193D+01  0.548508D+01  0.198751D+01  0.200510D+01  0.127983D+02
      2   0.198117D+01 -0.429112D+00  0.178043D+01 -0.143681D+02 -0.148029D+01
      3   0.268660D+02  0.729001D+01 -0.706386D+00 -0.272140D-01  0.544422D+00
                36            37            38            39            40 
      1  -0.109595D+01 -0.133264D+01  0.157245D+01 -0.597031D+01 -0.666379D+00
      2  -0.205360D+01  0.175103D+01  0.609902D+00  0.317334D+01 -0.505798D+01
      3  -0.213154D+01  0.301321D+02  0.223752D+01  0.505701D+00 -0.101426D+02
                41            42            43            44            45 
      1  -0.173346D+01  0.325987D+00 -0.147229D+02  0.879604D+01 -0.218188D+01
      2   0.839538D+00  0.368765D+00 -0.806240D+01  0.576310D+01 -0.123376D+01
      3   0.677257D+00  0.844141D+00  0.268173D+01  0.177281D+01  0.565837D+01
                46            47            48            49            50 
      1   0.378372D+01  0.157940D+01  0.501528D+01  0.220089D+01  0.918669D+00
      2  -0.232805D+01 -0.500299D+01  0.165522D+00 -0.330277D+01 -0.288739D+01
      3  -0.559196D+02 -0.357957D+02  0.928385D+00 -0.691650D+01 -0.219228D+02
                51            52            53            54            55 
      1  -0.390116D+01  0.595079D+01 -0.347160D+01  0.320659D+01  0.111649D+01
      2   0.102343D+01 -0.171274D+02  0.180580D+01 -0.192518D+01 -0.145144D+01
      3   0.650934D+00 -0.148925D+01 -0.179934D+01 -0.505468D+01 -0.302501D+02
                56            57            58            59            60 
      1   0.490642D+01  0.459886D+01 -0.103698D-01  0.949736D+00 -0.381733D+01
      2  -0.450155D+01 -0.605938D+01 -0.175602D+01 -0.639877D+00  0.398596D+01
      3  -0.344588D+02  0.364432D+01 -0.259719D-01 -0.242824D+02  0.767198D+00
                61            62            63            64            65 
      1   0.355943D+01 -0.307136D+01  0.156344D+01 -0.485610D+00 -0.125624D+00
      2  -0.216659D+02  0.625433D+01 -0.462628D+01  0.120499D+00  0.479599D+00
      3   0.101798D+01 -0.263785D+01 -0.934719D+01  0.523037D+00  0.334082D+00
                66            67            68            69            70 
      1   0.832117D+00  0.618870D+00 -0.200351D+01 -0.377036D+01  0.223691D+00
      2   0.211155D+00  0.867376D+00  0.147138D+00 -0.124607D+01 -0.184051D+01
      3   0.664813D-01  0.445536D+01  0.564110D+01 -0.657043D+00 -0.100726D+00
                71            72            73            74            75 
      1   0.262323D+01  0.409092D+00 -0.100802D+01  0.285943D+00 -0.297966D+01
      2   0.102441D+01 -0.444312D-01 -0.759152D+00 -0.745081D+00  0.243087D+01
      3  -0.567869D+00 -0.586606D+00  0.115823D+02 -0.105097D+00  0.897326D+00
                76            77            78            79            80 
      1   0.140793D+01  0.838453D+00 -0.256593D+01  0.163219D+01  0.937191D+00
      2  -0.144724D+01 -0.934319D+00  0.251878D+01 -0.258311D+01  0.339483D+00
      3   0.180262D+01 -0.146902D+01 -0.319955D+00  0.241952D+01 -0.143135D+00
                81            82            83            84            85 
      1   0.147942D+00  0.742386D+00 -0.787880D+00  0.106628D+01 -0.332456D+00
      2  -0.354044D+00 -0.330468D+00  0.416850D-01  0.438679D+00  0.386805D+00
      3  -0.379871D+00 -0.440722D+01  0.212550D+01 -0.621703D+00  0.507961D+01
                86            87            88            89            90 
      1   0.252318D+01 -0.514092D+01 -0.118625D+01  0.203803D+01  0.273340D+00
      2  -0.359552D+00 -0.642430D+00 -0.817795D+00 -0.876384D+00  0.289138D+00
      3  -0.345271D+01  0.567703D+00 -0.108680D+01  0.114730D+01  0.930310D+00
                91            92            93            94            95 
      1  -0.208982D+01 -0.399790D+00 -0.129423D+01 -0.234391D+01  0.255125D+01
      2   0.121671D+02 -0.712062D+00 -0.894776D+01 -0.465787D+01 -0.279086D+01
      3   0.690206D+01 -0.547895D+01  0.169150D+01  0.968766D+01 -0.231131D+02
                96            97            98            99           100 
      1  -0.323897D+01 -0.448976D+01  0.315437D+01 -0.953302D+00  0.579506D+01
      2  -0.208295D+01 -0.358666D+02 -0.292350D+01  0.548598D+01  0.978124D+01
      3   0.471562D+01  0.392839D+01  0.327679D+01  0.635262D+01 -0.174729D+02
               101           102           103           104           105 
      1   0.438337D+00  0.478942D-01 -0.210599D+01 -0.121327D+02 -0.380859D+01
      2  -0.328102D+01  0.234103D+02 -0.185424D+01  0.117585D+01  0.953094D+01
      3  -0.148774D+01 -0.284827D+01  0.422375D+01  0.251951D+02  0.677475D+00
               106           107           108           109           110 
      1   0.199340D+01  0.191904D+01  0.708030D+01  0.471019D+01  0.267257D+01
      2   0.161618D+02  0.775680D+01 -0.125979D+02 -0.166360D+02  0.288364D+00
      3  -0.483809D+01 -0.392020D+00 -0.981264D+01  0.246423D+01  0.134434D+02
               111           112           113           114           115 
      1   0.686753D+01  0.118047D+02 -0.272077D+00 -0.159148D+02  0.533403D+01
      2   0.437830D+01  0.341638D+01 -0.118874D+01 -0.524134D+01  0.105762D+02
      3   0.197005D+00  0.176778D+02  0.115324D+02 -0.261662D+01 -0.200018D-01
               116           117           118           119           120 
      1  -0.511406D+01 -0.193479D+00 -0.480752D+00  0.483574D+00  0.179293D+00
      2  -0.184532D+01 -0.235084D+01  0.124615D+01  0.541086D+00  0.297720D+01
      3  -0.935277D+00 -0.291018D+01  0.701607D+01 -0.133827D+01 -0.149188D+00
               121           122           123           124           125 
      1   0.750776D+00 -0.426083D+01 -0.230006D+01  0.145268D+00  0.715155D+00
      2   0.112276D+01  0.162211D+01 -0.472928D+01  0.225356D+01 -0.289390D+01
      3  -0.120889D+01  0.248595D+02 -0.290323D+01  0.422176D+00 -0.252157D+01
               126           127           128           129           130 
      1   0.283546D+00 -0.318883D+01  0.362820D+01 -0.182571D+00  0.347049D+01
      2   0.153642D+01 -0.111942D+02  0.213650D+01  0.600944D+01  0.177302D+01
      3   0.282231D+01  0.872559D+01 -0.881338D+01  0.147095D+01 -0.685947D+01
               131           132           133           134           135 
      1  -0.679454D+00 -0.280733D+00 -0.102544D+01  0.816965D+00 -0.114429D+01
      2  -0.130257D+01 -0.348505D+01  0.231531D+01 -0.155054D+01 -0.595231D-01
      3   0.160651D+01 -0.166908D+01  0.129541D+01 -0.138340D+01  0.255150D+01
               136           137           138           139           140 
      1  -0.164124D+01 -0.244321D+01  0.739839D+00 -0.795129D+00 -0.635101D+00
      2   0.847985D+01  0.197503D+01 -0.148864D+02  0.170059D+01  0.471620D+01
      3   0.234803D+01  0.172664D+01 -0.816515D+00  0.156044D+01  0.296531D+00
               141           142           143           144           145 
      1   0.145711D+01  0.939080D-01  0.421981D+01 -0.299094D+01  0.299808D+01
      2  -0.739517D+01 -0.720412D+01 -0.410407D+01  0.318031D+02 -0.115187D+01
      3  -0.443888D+01  0.377990D+00 -0.322298D+01  0.402014D+01 -0.528622D+01
               146           147           148           149           150 
      1   0.648206D+00  0.452732D+00  0.106800D+01  0.148660D+02 -0.109016D+01
      2  -0.115250D+01 -0.111515D+01 -0.633487D+00  0.207000D+01  0.548026D+01
      3  -0.143689D+01 -0.106235D+01 -0.303811D+00 -0.290275D+02 -0.348727D+01
               151           152           153           154           155 
      1   0.823690D+00  0.675944D+00  0.155777D+01 -0.420029D+01 -0.285601D+01
      2  -0.133983D+01  0.226145D+01  0.121620D+01  0.837829D+01  0.138700D+01
      3  -0.256383D+01  0.412029D+00 -0.319954D+01 -0.132410D+02 -0.217319D+02
               156           157           158           159           160 
      1  -0.250771D+01 -0.817260D+01 -0.252407D+01  0.573099D+00 -0.359536D+00
      2   0.209764D+02 -0.335324D+01  0.160614D+01  0.703996D+01  0.860389D+01
      3  -0.112177D+00 -0.165536D+02 -0.137948D+02  0.205872D+01  0.121208D+01
               161           162           163           164           165 
      1   0.348870D+01 -0.103794D+01 -0.532907D+01 -0.135529D+01 -0.509984D+00
      2   0.312063D+01  0.122620D+01  0.892513D+01  0.244103D+01  0.438985D+00
      3   0.186034D+01 -0.371149D+01 -0.800943D+01 -0.401080D+01  0.714237D+00
               166           167           168           169           170 
      1  -0.404667D+01  0.151496D+01  0.454665D+01  0.247765D+01  0.804558D+01
      2   0.360487D+01 -0.606868D+01  0.613748D+00 -0.800542D+01 -0.285257D+01
      3  -0.848744D+00  0.216353D+01  0.716850D+01  0.519689D+00  0.258828D+01
               171           172           173           174           175 
      1  -0.337180D+01  0.520523D+01  0.126115D+01 -0.190822D+01  0.443164D+01
      2  -0.246782D+02 -0.200310D+02 -0.242765D+01 -0.489261D+01 -0.342940D+01
      3   0.344688D+01  0.908453D+01  0.208133D+01 -0.855723D-01  0.552935D+01
               176           177           178           179           180 
      1  -0.457784D+00 -0.225107D+01 -0.250865D+01 -0.362873D+00  0.103425D+01
      2  -0.247854D+01 -0.139276D+01 -0.387380D+00 -0.245788D+00 -0.237119D+01
      3   0.100440D+01  0.117882D+01 -0.298474D+01 -0.386501D+00  0.142728D+01
               181           182           183           184           185 
      1   0.398146D+00 -0.364580D+01 -0.592918D+01 -0.540659D+00  0.146234D+01
      2   0.250390D+01  0.768698D+00  0.951581D+01  0.103748D+01  0.228473D+01
      3   0.161236D+02  0.450578D+01 -0.705147D+00 -0.123881D+02  0.680709D+01
               186           187           188           189           190 
      1  -0.110045D+01 -0.122657D+02  0.669966D+01 -0.235496D+01 -0.181220D+01
      2   0.393128D+01 -0.238034D+01  0.106661D+02 -0.828797D-02  0.113822D+02
      3  -0.189326D+01  0.166621D+01 -0.961371D+00  0.425094D-01  0.184152D+02
               191           192           193           194           195 
      1  -0.470244D+01  0.230170D+01 -0.390185D+01 -0.997093D+00  0.372889D+01
      2   0.409862D+01  0.338733D+01  0.482766D+01  0.125229D+01 -0.611297D+00
      3   0.201293D+02 -0.766241D+00  0.386231D+02  0.558955D+01  0.273449D+01
               196           197           198           199           200 
      1   0.168650D+00  0.124617D+02 -0.178827D+01  0.199582D+00  0.495408D+01
      2   0.372393D+01 -0.410950D+01  0.256301D+01 -0.831503D+01 -0.531366D+01
      3  -0.257347D+01  0.238154D+01 -0.362291D+00  0.325099D+01 -0.421662D+02
               201           202           203           204           205 
      1  -0.893483D+00  0.129676D+01  0.159922D+01 -0.373269D+01  0.460767D+01
      2   0.182010D+01 -0.520484D+01 -0.395074D+01 -0.584435D+01 -0.197036D+02
      3   0.363863D+01 -0.213209D+01 -0.894371D+01  0.192019D+01  0.224146D+01
               206           207           208           209           210 
      1   0.160026D+01  0.104260D+01  0.135304D+01  0.384600D+01 -0.177600D+01
      2  -0.156230D+02  0.226160D+01 -0.432419D+01 -0.345031D+01  0.140177D+02
      3   0.436031D+00  0.903845D+01 -0.678484D+01 -0.382989D+02  0.163286D+01
               211           212           213           214           215 
      1  -0.525615D+00 -0.152426D+01 -0.435244D+01 -0.234121D+01 -0.101891D+01
      2  -0.212063D+00  0.286419D+01  0.614935D+01 -0.677049D+01 -0.156011D+01
      3   0.616275D+00  0.147598D+02 -0.219892D+01 -0.695691D+00 -0.449642D+01
               216           217           218           219           220 
      1   0.243283D+00  0.672629D+00 -0.153696D+01  0.138412D+01 -0.102724D+01
      2   0.389213D+00 -0.267046D+00  0.431620D+01 -0.765626D+01  0.489742D+01
      3   0.292062D+01 -0.295897D+02  0.142708D+02 -0.575674D+01  0.294726D+02
               221           222           223           224           225 
      1  -0.562384D+00  0.255880D+01  0.952625D+01  0.455701D+01 -0.161813D+01
      2  -0.600027D+01 -0.398625D+02 -0.228393D+02 -0.286763D+02  0.818455D+01
      3   0.200400D+02  0.803536D+01 -0.510889D+01  0.611511D+01  0.297907D+02
               226           227           228           229           230 
      1   0.185630D+00 -0.275781D+00  0.977957D+00  0.677469D-02 -0.703069D+00
      2  -0.749526D+00  0.866569D+00  0.899099D-01  0.452758D+00 -0.219629D+01
      3  -0.629318D+01  0.425692D+01 -0.103766D+01  0.431217D+01 -0.206274D+02
               231           232           233           234           235 
      1  -0.455469D+01 -0.241293D+00  0.292981D+01  0.148027D+00 -0.104908D+01
      2   0.104525D+01 -0.337644D+00 -0.227091D+00  0.703698D-01  0.222511D+01
      3   0.225164D+01 -0.106621D+01  0.307345D+01  0.138504D+00  0.406599D+01
               236           237           238           239           240 
      1  -0.393503D+00 -0.189752D+01 -0.835136D-02 -0.164291D+00 -0.244162D+01
      2   0.379260D+00  0.230239D+01 -0.405511D-01  0.169431D+00  0.312282D+01
      3  -0.542451D+01  0.614361D+00 -0.523407D+01 -0.106203D+02  0.676990D-01
               241           242           243           244           245 
      1   0.234482D+01  0.100100D+01  0.185543D+00  0.165148D+00 -0.304595D+00
      2  -0.325710D+01  0.156359D+00 -0.629716D+00  0.574685D+00 -0.732461D+00
      3   0.154625D+01  0.606614D+00 -0.104379D+01  0.342198D+01 -0.249970D+01
               246           247           248           249           250 
      1   0.105324D+01 -0.298851D+00  0.466398D-02 -0.406398D+01 -0.224544D-01
      2   0.127070D+01 -0.700571D+00  0.263212D+01 -0.325349D+01 -0.190752D+01
      3   0.548546D+00 -0.149964D+01  0.209763D+02 -0.227057D+01  0.749839D+00
               251           252           253           254           255 
      1   0.192969D+01  0.288881D+00 -0.187208D+00  0.185944D+00 -0.120184D+00
      2   0.125015D+00  0.246236D+00 -0.108183D+02 -0.285899D+01  0.344045D+01
      3  -0.231765D+01  0.181566D-01 -0.406102D+01 -0.255198D+01  0.255223D+01
               256           257           258           259           260 
      1   0.107423D+01  0.711890D+00 -0.254659D+01 -0.265533D+01  0.103031D+01
      2  -0.670098D+01 -0.939769D+01  0.159518D+02  0.162654D+02  0.151567D+02
      3  -0.101925D+02 -0.158903D+02  0.990835D+01  0.790393D+01  0.127741D+02
               261           262           263           264           265 
      1   0.422321D+01  0.981267D+00 -0.333578D-01  0.656937D+00 -0.106437D+00
      2  -0.332078D+02  0.722679D+01  0.172596D+00 -0.246256D+00  0.533178D+01
      3  -0.158321D+02 -0.416646D+01 -0.884865D+00 -0.114476D+00 -0.113631D+02
               266           267           268           269           270 
      1   0.123750D+01 -0.220915D+01 -0.116441D+01  0.181809D+01 -0.236926D+01
      2   0.132785D+02  0.189257D+02  0.117554D+02  0.168513D+02  0.256725D+02
      3  -0.241094D+02 -0.152333D+02 -0.658570D+01 -0.158594D+02 -0.183296D+02
               271           272           273           274           275 
      1  -0.108953D+01  0.819853D+00  0.382656D+00  0.811097D+00 -0.770665D+00
      2   0.386624D+01 -0.131744D+01  0.908206D+01 -0.198918D+01  0.174512D+01
      3   0.228280D+02 -0.138153D+02  0.247387D+01 -0.171171D+02  0.143015D+02
               276           277           278           279 
      1  -0.972932D+00 -0.869373D+00  0.529471D+00  0.691443D-01
      2  -0.333486D+01  0.924176D+01 -0.104557D+00  0.200910D+01
      3  -0.262087D+01  0.287298D+01 -0.268712D+01  0.169666D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.932733D+02 -0.416041D+02 -0.701546D+00  0.940705D+02 -0.843097D+01
      2   0.487586D+02  0.246834D+02  0.563943D+00 -0.428342D+02  0.120833D+02
      3   0.445146D+02  0.169207D+02  0.137603D+00 -0.512362D+02 -0.365229D+01
      4  -0.328223D+02  0.623487D+01 -0.280735D+01 -0.284095D+01  0.105563D+02
      5   0.323337D+01 -0.259137D+01 -0.104922D+01 -0.491898D+01 -0.357292D+01
      6  -0.921472D-01  0.115397D+01 -0.612596D+00 -0.402551D+01 -0.312097D+01
                 6             7             8             9            10 
      1   0.638510D+01 -0.181269D+02 -0.348093D+01 -0.118648D+02  0.618445D+02
      2  -0.444389D+01  0.799147D+01  0.183461D+01  0.196305D-01 -0.161547D+02
      3  -0.194121D+01  0.101354D+02  0.164633D+01  0.118451D+02 -0.456898D+02
      4  -0.158679D+01 -0.218964D+01 -0.759438D+00  0.726175D-01 -0.314743D+01
      5  -0.109515D+01  0.215800D+01  0.165291D+01 -0.155142D+01  0.162682D+01
      6  -0.358337D+00 -0.294280D+01  0.449103D+01  0.211891D+00 -0.579033D+01
                11            12            13            14            15 
      1  -0.152348D+02  0.791173D+01 -0.115062D+03 -0.226635D+02 -0.643144D+01
      2   0.118927D+02 -0.257508D+01  0.519346D+02  0.200531D+02  0.114583D+01
      3   0.334211D+01 -0.533665D+01  0.631277D+02  0.261036D+01  0.528562D+01
      4   0.871340D+00 -0.119348D+01 -0.189652D+02 -0.145565D+02  0.509363D+00
      5  -0.372743D+01 -0.965967D+01  0.643335D+01  0.251552D+01  0.957663D+00
      6  -0.106403D+01 -0.313840D+00  0.285942D+01  0.504258D+00 -0.235446D+01
                16            17            18            19            20 
      1   0.184146D+02  0.303616D+00 -0.802334D+01  0.655145D+02  0.444064D+02
      2  -0.692089D+01 -0.730653D+00 -0.138128D+01 -0.308373D+02 -0.285545D+02
      3  -0.114937D+02  0.427037D+00  0.940463D+01 -0.346772D+02 -0.158518D+02
      4   0.209195D+01  0.820754D+00 -0.253261D+01  0.339891D+02 -0.115700D+02
      5  -0.125345D+01 -0.223175D+01 -0.230998D+01 -0.801194D+01  0.196480D+01
      6  -0.212809D+01  0.400404D+01  0.138733D+01 -0.214824D+01 -0.493138D+01
                21            22            23            24            25 
      1   0.313801D+01 -0.129464D+02  0.196696D+02 -0.156007D+01  0.816080D+01
      2  -0.227717D+00  0.194977D+02 -0.253193D+02  0.492304D+01 -0.489007D+01
      3  -0.291029D+01 -0.655133D+01  0.564973D+01 -0.336297D+01 -0.327073D+01
      4   0.306223D+01  0.139838D+02  0.204392D+01 -0.140162D+01  0.355587D+01
      5  -0.511621D+01 -0.270727D+01 -0.269368D+01 -0.723677D+01  0.928774D+01
      6   0.115879D+01 -0.414694D+01  0.422806D+01  0.585761D+01 -0.114334D+01
                26            27            28            29            30 
      1   0.456013D+01 -0.126373D+02 -0.321260D+00 -0.193319D+01 -0.345533D+01
      2   0.291345D+01 -0.163097D+01 -0.183994D+02  0.179100D+01 -0.234299D+00
      3  -0.747358D+01  0.142683D+02  0.187207D+02  0.142191D+00  0.368963D+01
      4  -0.332231D+01 -0.490651D+01 -0.167559D+02  0.113237D+02 -0.648919D+00
      5  -0.826722D+01 -0.585204D-01  0.113180D+02  0.192229D+01  0.983282D+01
      6   0.123682D+02 -0.273384D+01  0.567173D+01  0.241877D+01 -0.214722D+01
                31            32            33            34            35 
      1  -0.483192D+02 -0.590333D+02  0.483998D+01  0.252473D+00  0.420839D+01
      2   0.391611D+02  0.519357D+02 -0.605807D+01 -0.541127D+01 -0.512596D+01
      3   0.915814D+01  0.709757D+01  0.121809D+01  0.515880D+01  0.917570D+00
      4  -0.304884D+02  0.465689D+01 -0.182677D+01  0.476528D+01  0.473381D-02
      5   0.547407D+01 -0.164181D+01  0.351426D+01  0.302642D+02  0.409753D+01
      6  -0.463187D+01  0.134358D+01 -0.420473D+01 -0.382685D+01  0.280532D+01
                36            37            38            39            40 
      1  -0.114189D+01 -0.190873D+02 -0.569222D+02  0.205746D+01  0.402933D+02
      2  -0.943686D+01  0.951154D+01  0.430264D+02 -0.153233D+01 -0.403760D+02
      3   0.105788D+02  0.957579D+01  0.138958D+02 -0.525127D+00  0.826929D-01
      4  -0.149154D+01 -0.118278D+02 -0.159806D+01 -0.101707D+01  0.888016D+01
      5   0.870782D+00  0.132391D+01 -0.392222D+01  0.827455D+01  0.376942D+01
      6   0.178252D+01 -0.347570D+01  0.324116D+01  0.105451D+02  0.827048D+01
                41            42            43            44            45 
      1   0.367222D+02 -0.389888D+01 -0.896919D+01 -0.116987D+02 -0.940680D+01
      2  -0.335699D+02  0.117875D+01  0.747180D+01  0.817111D+01 -0.137407D+01
      3  -0.315226D+01  0.272012D+01  0.149738D+01  0.352763D+01  0.107809D+02
      4  -0.173741D+02  0.384966D+01 -0.224082D+01  0.250373D+01  0.794632D+01
      5   0.540193D+01  0.491143D+01  0.172089D+02  0.475080D+01  0.583452D+00
      6  -0.103260D+01  0.127386D+01  0.181759D+02  0.775951D+01  0.519073D+01
                46            47            48            49            50 
      1   0.324883D+02  0.435814D+02  0.165643D+01 -0.821386D+01  0.410320D+01
      2  -0.245254D+02 -0.335693D+02 -0.598994D+00  0.564367D+01 -0.152505D+02
      3  -0.796291D+01 -0.100121D+02 -0.105743D+01  0.257019D+01  0.111473D+02
      4   0.578163D+01 -0.874703D+01  0.148461D+01  0.914472D+01  0.841592D+01
      5  -0.467194D+01  0.403213D+01 -0.230041D+01 -0.311422D+00 -0.403204D+00
      6   0.392631D+01 -0.567701D+01 -0.741746D+01 -0.287315D+00  0.734799D+01
                51            52            53            54            55 
      1  -0.436210D+01  0.589857D+01 -0.125123D+01 -0.216814D+02  0.207032D+02
      2   0.460966D+01 -0.479477D+01  0.411726D+01  0.100045D+02 -0.181774D+02
      3  -0.247561D+00 -0.110380D+01 -0.286603D+01  0.116769D+02 -0.252581D+01
      4  -0.109610D+01  0.104652D+00 -0.393873D+01 -0.135115D+01  0.251584D+02
      5   0.240459D+00  0.409350D+01  0.140022D+01 -0.247095D+01  0.250310D+01
      6   0.920600D+01 -0.348347D+01  0.223339D+02 -0.228673D+01  0.322204D+01
                56            57            58            59            60 
      1   0.539170D+02 -0.138606D+01  0.766653D+01  0.221842D+02 -0.469576D+01
      2  -0.357377D+02 -0.590587D+00 -0.191469D+01 -0.239391D+02  0.588241D+01
      3  -0.181793D+02  0.197665D+01 -0.575183D+01  0.175483D+01 -0.118666D+01
      4  -0.414533D+02  0.440428D+01  0.276567D+02  0.137774D+02  0.181636D+01
      5   0.579878D+01 -0.132955D+02 -0.319584D+01  0.113472D+01  0.610618D+01
      6  -0.191603D+01 -0.845333D+01 -0.324286D+00  0.628972D+01  0.860512D+01
                61            62            63            64            65 
      1   0.248759D+01 -0.136171D+01 -0.207844D+02 -0.112191D+01  0.274146D+01
      2  -0.172445D+01  0.651185D+01  0.722338D+01  0.404325D+01 -0.394497D+01
      3  -0.763143D+00 -0.515014D+01  0.135610D+02 -0.292134D+01  0.120350D+01
      4  -0.224659D+01 -0.374518D+01  0.142120D+02 -0.517566D+01  0.987422D+01
      5   0.136425D+01  0.162826D+02 -0.802387D+01  0.112479D+01 -0.178760D+01
      6   0.180572D+01  0.209642D+02 -0.467287D+01 -0.195871D+01  0.173318D+01
                66            67            68            69            70 
      1  -0.497642D+00  0.772510D+01 -0.322321D+02  0.480961D+01 -0.181093D+00
      2   0.280340D+00 -0.103479D+02  0.389923D+02 -0.367467D+01  0.389480D+00
      3   0.217302D+00  0.262284D+01 -0.676017D+01 -0.113494D+01 -0.208386D+00
      4  -0.139573D+01  0.103368D+02 -0.186230D+02  0.235523D+01 -0.165271D+01
      5   0.152896D+01 -0.173496D+01  0.154134D+01 -0.231192D+01  0.266797D+00
      6  -0.121406D+01  0.292092D+01 -0.963390D+01  0.703324D+01 -0.190207D+01
                71            72            73            74            75 
      1   0.333506D+01 -0.380705D+01  0.114744D+02 -0.719128D+00  0.441159D+00
      2  -0.363869D+01  0.387664D+01 -0.269249D+00  0.789489D+01 -0.743972D+00
      3   0.303636D+00 -0.695861D-01 -0.112052D+02 -0.717576D+01  0.302814D+00
      4   0.282833D+01 -0.922480D+00  0.258680D+02  0.193354D+02 -0.310166D-01
      5  -0.348795D-02  0.668385D+00  0.316744D+01  0.196319D+00  0.504009D+01
      6   0.360453D+01 -0.198455D+01  0.172646D+01  0.924655D+00  0.276420D+01
                76            77            78            79            80 
      1  -0.377996D+01 -0.865561D+01 -0.217655D+00  0.190440D+01  0.484135D+00
      2   0.134198D+02  0.184707D+02 -0.363059D-02 -0.222292D+01 -0.937894D+00
      3  -0.963982D+01 -0.981510D+01  0.221286D+00  0.318517D+00  0.453759D+00
      4   0.257767D+02  0.255853D+02 -0.305129D+00 -0.121634D+01 -0.130756D+01
      5  -0.318843D+00  0.921380D-01  0.326785D+01  0.845062D+00  0.194931D+01
      6   0.847606D+00  0.145801D+01  0.424954D+01 -0.827904D+00  0.235851D+01
                81            82            83            84            85 
      1   0.642936D+00 -0.422032D+01  0.686019D+01 -0.132622D+01  0.350898D+01
      2   0.477826D+00  0.658377D+01 -0.924158D+01  0.120624D+01 -0.405550D+01
      3  -0.112076D+01 -0.236345D+01  0.238139D+01  0.119978D+00  0.546523D+00
      4   0.229659D+01 -0.285856D+01  0.110860D+02 -0.941776D+00  0.645316D+01
      5  -0.269881D+00 -0.294795D+00 -0.538797D-01  0.160514D+01 -0.180700D+00
      6  -0.483808D+00 -0.547206D+00  0.133358D+01 -0.151844D+01  0.155357D+00
                86            87            88            89            90 
      1  -0.529939D+02  0.528117D+01 -0.129627D+01  0.659397D+01 -0.260991D+01
      2   0.706372D+02 -0.587351D+01  0.131388D+01 -0.789251D+01  0.322731D+01
      3  -0.176433D+02  0.592344D+00 -0.176173D-01  0.129854D+01 -0.617403D+00
      4  -0.857834D+01  0.548439D+00 -0.814906D+00  0.152127D+01 -0.166438D+01
      5  -0.185423D+01 -0.360081D+00  0.693144D+00 -0.116199D+01  0.476466D+00
      6  -0.449617D+01  0.780137D+01  0.491071D+00  0.334608D+01 -0.175739D+01
                91            92            93            94            95 
      1  -0.990150D+01 -0.663040D+01  0.102787D+02 -0.979782D+01  0.145009D+02
      2   0.178032D+02  0.656165D+01  0.958555D+00  0.124153D+02 -0.200758D+02
      3  -0.790169D+01  0.687514D-01 -0.112373D+02 -0.261743D+01  0.557489D+01
      4  -0.373283D+01  0.116838D+01 -0.438204D+01 -0.357243D+01  0.403303D+02
      5  -0.547072D+00 -0.593669D+01 -0.261822D+02 -0.200973D+02 -0.496561D+01
      6  -0.577928D+01 -0.207481D+01 -0.758057D+00 -0.278694D+00  0.975471D+01
                96            97            98            99           100 
      1  -0.112273D+02  0.372844D+01 -0.535641D+01 -0.258525D+02 -0.627668D+02
      2   0.135796D+02  0.521913D+01  0.544615D+01  0.192353D+02  0.346823D+02
      3  -0.235231D+01 -0.894756D+01 -0.897339D-01  0.661721D+01  0.280845D+02
      4  -0.478687D+01 -0.970443D+01 -0.474851D+01 -0.483849D+01  0.278309D+02
      5  -0.688089D+01 -0.597689D+02 -0.767066D+01 -0.274317D+01 -0.336513D+02
      6  -0.115614D+01 -0.310211D+00 -0.776044D+00 -0.480825D+01  0.133863D+02
               101           102           103           104           105 
      1   0.203451D+02 -0.328298D+02  0.361731D+02  0.651382D+00 -0.378110D+00
      2  -0.107680D+02  0.110748D+01 -0.267588D+02 -0.748285D+01 -0.115422D+02
      3  -0.957711D+01  0.317223D+02 -0.941435D+01  0.683146D+01  0.119203D+02
      4  -0.173659D+01  0.395009D+01 -0.474514D+01 -0.419491D+02 -0.160840D+01
      5   0.937598D+01  0.204061D+02  0.244466D+02 -0.498682D+00  0.199872D+02
      6  -0.270703D+00  0.554898D+00 -0.314824D+00 -0.182213D+02 -0.107745D+00
               106           107           108           109           110 
      1  -0.706854D+01 -0.329220D+01  0.394148D+02 -0.949606D+02 -0.138403D+02
      2  -0.136766D+02 -0.532192D+01 -0.115534D+02  0.418689D+02  0.248752D+01
      3   0.207452D+02  0.861412D+01 -0.278614D+02  0.530916D+02  0.113528D+02
      4   0.588216D+01  0.175205D+01  0.159063D+02 -0.205226D+02 -0.165554D+02
      5   0.411769D+02  0.154400D+02  0.120523D+02  0.158779D+02  0.690581D+01
      6   0.388529D+01  0.144602D+01  0.120036D+02  0.644533D+01  0.237324D+01
               111           112           113           114           115 
      1   0.616994D+01 -0.232011D+02 -0.106206D+02  0.584632D+01 -0.197335D+02
      2  -0.299905D+01  0.596865D+01  0.109239D+02 -0.296248D+01  0.148369D+02
      3  -0.317089D+01  0.172324D+02 -0.303300D+00 -0.288384D+01  0.489663D+01
      4   0.454497D+01  0.167748D+01 -0.169845D+02  0.951185D-01  0.616928D+01
      5  -0.220380D+01  0.130770D+02  0.175632D+01 -0.154359D+01  0.237235D+02
      6  -0.296773D+01  0.256784D+01  0.111318D+01  0.832163D+00  0.910785D+00
               116           117           118           119           120 
      1   0.524905D+01  0.225635D+02 -0.717363D+01 -0.674486D+01 -0.653456D+00
      2  -0.236276D+01 -0.572200D+01  0.887487D+01  0.269606D+01  0.367867D+00
      3  -0.288629D+01 -0.168415D+02 -0.170124D+01  0.404880D+01  0.285589D+00
      4  -0.239395D+01  0.200890D+01 -0.946297D+01  0.772801D+01 -0.686332D+00
      5   0.289083D+01 -0.976490D+01  0.124541D+00 -0.119726D+01  0.687852D+01
      6  -0.408160D+01 -0.273442D+01 -0.248137D+01  0.833088D+00 -0.266152D+00
               121           122           123           124           125 
      1  -0.853222D+01 -0.180934D+02  0.519880D+01 -0.161328D+01  0.217521D+01
      2  -0.980331D-01  0.307197D+02 -0.419135D+01  0.125717D+01 -0.731194D+00
      3   0.863025D+01 -0.126263D+02 -0.100744D+01  0.356112D+00 -0.144402D+01
      4   0.165096D+02 -0.479401D+02  0.543926D+01 -0.620123D+00  0.467839D+01
      5  -0.106521D+01  0.519058D+01 -0.109115D+02  0.959175D+01 -0.610344D+01
      6   0.222731D+01 -0.109607D+02  0.631252D+01 -0.190160D+01  0.664824D+01
               126           127           128           129           130 
      1  -0.340608D+00  0.106612D+03 -0.142047D+02  0.205080D+02 -0.253816D+02
      2   0.408061D+00 -0.637103D+02  0.725487D+01 -0.172221D+02  0.146286D+02
      3  -0.674532D-01 -0.429019D+02  0.694980D+01 -0.328587D+01  0.107530D+02
      4  -0.650548D+01 -0.207140D+02  0.158207D+02 -0.401056D+01  0.210757D+02
      5   0.441545D+01  0.605117D+02 -0.694757D+01  0.279779D+02 -0.175519D+02
      6  -0.234629D+01 -0.824633D+01  0.630689D+01 -0.196358D+01  0.782214D+01
               131           132           133           134           135 
      1   0.119049D+02 -0.378719D+01  0.100758D+02 -0.513310D+00  0.769734D+01
      2  -0.454412D+01  0.537854D+01 -0.962923D+01  0.192269D+01 -0.829446D+01
      3  -0.736081D+01 -0.159135D+01 -0.446567D+00 -0.140938D+01  0.597121D+00
      4  -0.570349D+01  0.492696D+01 -0.275589D+01  0.166848D+01 -0.524430D+01
      5   0.737173D+01 -0.109951D+02  0.189720D+02 -0.525939D+01  0.920327D+01
      6  -0.203596D+01  0.327534D+01 -0.248962D+01  0.153669D+01 -0.235325D+01
               136           137           138           139           140 
      1  -0.753712D+01 -0.513972D+01  0.244986D+02 -0.697989D+01 -0.764502D+01
      2  -0.851570D+00  0.163116D+01  0.179293D+01  0.448209D+01  0.144018D+01
      3   0.838869D+01  0.350856D+01 -0.262916D+02  0.249780D+01  0.620485D+01
      4  -0.399506D+01 -0.301072D+01  0.130723D+01  0.136853D+01 -0.369323D+00
      5   0.174806D+01 -0.102088D+01 -0.121114D+02 -0.486630D+01  0.575435D+01
      6  -0.277663D+01 -0.374016D+01  0.241335D+01 -0.297334D+00 -0.267348D+01
               141           142           143           144           145 
      1   0.792960D+01  0.111350D+02  0.470824D+01 -0.425744D+02  0.920246D+01
      2   0.302050D+01 -0.326774D+01  0.155747D+01 -0.146040D+02 -0.235451D+01
      3  -0.109501D+02 -0.786721D+01 -0.626570D+01  0.571784D+02 -0.684795D+01
      4   0.783424D+01 -0.137809D+00  0.659445D+01 -0.788094D+01  0.710153D+01
      5  -0.115220D+02  0.450886D+01 -0.539131D+01  0.414558D+02  0.417494D+01
      6   0.942842D+01 -0.151084D+00  0.736429D+01 -0.765104D+01  0.234232D+01
               146           147           148           149           150 
      1   0.606396D+01  0.418848D+01  0.120548D+02 -0.477170D+01 -0.138237D+01
      2  -0.242526D+01 -0.218669D+00 -0.620713D+01  0.146837D+02 -0.276461D+01
      3  -0.363870D+01 -0.396981D+01 -0.584768D+01 -0.991199D+01  0.414698D+01
      4   0.731719D+01  0.875402D+00  0.150847D+02  0.529172D+02  0.909435D+01
      5   0.260537D+01 -0.519822D+00  0.114451D+02  0.937268D+01  0.135362D+02
      6   0.194731D+01  0.249508D+00  0.563752D+01  0.252964D+02  0.826402D+01
               151           152           153           154           155 
      1  -0.126869D+01 -0.144714D+01 -0.590366D+01  0.199441D+03  0.224922D+02
      2   0.208749D+01 -0.117703D+01  0.200943D+01 -0.955386D+02 -0.867288D+01
      3  -0.818796D+00  0.262417D+01  0.389423D+01 -0.103903D+03 -0.138193D+02
      4   0.890381D+00  0.795388D+00  0.499248D+01  0.224982D+02  0.343143D+02
      5  -0.126139D+01  0.508522D+01  0.636451D-01 -0.371765D+02 -0.430892D+01
      6   0.105971D+01  0.490719D+01  0.224753D+01 -0.488898D+01 -0.546961D+01
               156           157           158           159           160 
      1  -0.898178D+01  0.317431D+02  0.339967D+02 -0.190086D+01 -0.120004D+02
      2   0.919114D+01 -0.136690D+02 -0.127673D+02  0.203587D+01  0.109576D+02
      3  -0.209355D+00 -0.180741D+02 -0.212294D+02 -0.135013D+00  0.104280D+01
      4  -0.145019D+01  0.474988D+02  0.250428D+02 -0.406310D+01 -0.344051D+01
      5   0.355337D+02 -0.867385D+01 -0.850006D+01  0.898425D+01  0.384966D+02
      6  -0.292871D+00 -0.938414D+01 -0.496580D+01  0.504082D+01  0.207137D+01
               161           162           163           164           165 
      1  -0.182704D+01  0.225481D+02  0.453455D+02  0.378182D+01 -0.162227D+02
      2   0.147647D+01 -0.158691D+02 -0.325937D+02 -0.141295D+01  0.966489D+01
      3   0.350569D+00 -0.667904D+01 -0.127518D+02 -0.236887D+01  0.655785D+01
      4  -0.187496D+01  0.530424D+01 -0.121077D+01  0.730950D+01  0.334595D+01
      5   0.710604D+01 -0.767847D+01 -0.329207D+02  0.125872D+01  0.175361D+02
      6   0.450617D+01 -0.181406D+01  0.299589D+00 -0.141334D+01 -0.672766D+00
               166           167           168           169           170 
      1   0.121411D+02 -0.900271D+01 -0.340533D+01  0.965156D+00 -0.284852D+01
      2  -0.617688D+01  0.331798D+01  0.239461D+01  0.214362D+01  0.536685D+00
      3  -0.596423D+01  0.568473D+01  0.101072D+01 -0.310877D+01  0.231183D+01
      4   0.328023D+01 -0.493789D+01 -0.115346D+02  0.454239D+01 -0.554064D+01
      5  -0.397246D+01 -0.109043D+02 -0.818906D+00  0.151634D+02 -0.652294D+01
      6  -0.845958D+00  0.458697D+01  0.120007D+02 -0.355294D+01  0.115805D+02
               171           172           173           174           175 
      1  -0.325550D+02 -0.469864D+02 -0.543435D+01 -0.501692D+01 -0.928159D+01
      2  -0.113036D+02  0.296922D+02  0.283007D+01 -0.442812D+01  0.562196D+01
      3   0.438586D+02  0.172942D+02  0.260428D+01  0.944504D+01  0.365963D+01
      4  -0.794542D+01  0.176816D+01 -0.433306D+01 -0.248736D+01  0.928812D+00
      5  -0.432424D+02  0.249810D+02 -0.105113D+01 -0.138280D+02  0.274681D+01
      6   0.951988D+01  0.536097D+00  0.378162D+01  0.332703D+01  0.474496D+00
               176           177           178           179           180 
      1  -0.560396D+01 -0.183481D+01  0.950185D+01 -0.457917D+00 -0.866843D+01
      2   0.398206D+01  0.630757D+00 -0.112648D+02  0.124508D+00  0.487917D+01
      3   0.162190D+01  0.120405D+01  0.176299D+01  0.333409D+00  0.378927D+01
      4  -0.208043D+01 -0.296545D+01 -0.156071D+01  0.520612D+00  0.775207D+00
      5  -0.209672D+01 -0.199610D+01 -0.117302D+02  0.404150D+00  0.374231D+01
      6   0.216762D+01  0.331433D+01  0.278328D+01  0.782453D+00  0.937599D-01
               181           182           183           184           185 
      1  -0.145904D+01 -0.539918D+02  0.319344D+01  0.916381D+02  0.270040D+02
      2   0.252476D+01  0.380157D+02  0.200641D+00 -0.651506D+02 -0.237934D+02
      3  -0.106572D+01  0.159761D+02 -0.339408D+01 -0.264876D+02 -0.321060D+01
      4  -0.183341D+02  0.435379D+02 -0.664644D+01  0.144847D+02 -0.398815D+02
      5  -0.526920D+01 -0.875263D+01  0.201432D+02  0.549771D+01  0.809551D+01
      6  -0.411941D+01 -0.234467D+01  0.117999D+02  0.638220D+01  0.284654D+01
               186           187           188           189           190 
      1   0.295017D+01 -0.139629D+02 -0.883519D+01  0.414718D+01  0.154090D+03
      2  -0.215544D+01  0.126587D+02  0.719860D+01 -0.926842D+01 -0.792991D+02
      3  -0.794732D+00  0.130412D+01  0.163658D+01  0.512123D+01 -0.747905D+02
      4   0.832418D+01 -0.250292D+01  0.107211D+02  0.160058D+02 -0.125390D+01
      5   0.979558D+01  0.315153D+02  0.148226D+02 -0.248335D+01 -0.208547D+01
      6   0.276751D+01  0.157361D+02  0.812586D+01  0.301305D+01 -0.102013D+01
               191           192           193           194           195 
      1   0.216528D+02  0.680458D+01 -0.499426D+02 -0.243211D+02  0.150094D+01
      2  -0.101828D+02 -0.272745D+01  0.436450D+02  0.294561D+02 -0.376085D+01
      3  -0.114700D+02 -0.407713D+01  0.629766D+01 -0.513506D+01  0.225991D+01
      4   0.358497D+02 -0.221111D+01 -0.167032D+02  0.610320D+02 -0.823110D+01
      5  -0.198817D+01  0.841276D+01  0.429931D+01 -0.799919D+01 -0.110376D+01
      6  -0.273957D+01 -0.507466D+01 -0.684607D+01 -0.395493D+01 -0.526906D+01
               196           197           198           199           200 
      1   0.988236D+01  0.671522D+01  0.249440D+02 -0.116770D+03 -0.163852D+01
      2  -0.788260D+01 -0.560422D+01 -0.225125D+02  0.454793D+02 -0.448760D+01
      3  -0.199976D+01 -0.111100D+01 -0.243148D+01  0.712905D+02  0.612611D+01
      4   0.777658D+01 -0.371699D+01 -0.131835D+01 -0.233849D+01 -0.346750D+02
      5   0.522096D+02  0.332675D+01  0.408705D+01 -0.198025D+01  0.802654D+01
      6  -0.203184D+01  0.459938D+01  0.161142D+01  0.677668D+01  0.230433D-01
               201           202           203           204           205 
      1  -0.685389D+01 -0.747596D+02 -0.473376D+01 -0.608578D+01 -0.724308D-01
      2   0.340214D+01  0.467950D+02 -0.114582D+02  0.569398D+01 -0.225695D+01
      3   0.345175D+01  0.279646D+02  0.161920D+02  0.391802D+00  0.232938D+01
      4   0.589909D+01  0.168736D+01 -0.181247D+02 -0.232473D+01  0.220743D+01
      5   0.183780D+01 -0.141736D+01 -0.295423D+01 -0.126950D+02  0.241034D+01
      6   0.127723D+01 -0.147084D+01  0.634527D+01  0.729922D+01 -0.182646D+01
               206           207           208           209           210 
      1   0.888476D+00 -0.213576D+02 -0.226332D+02 -0.309583D+02 -0.236436D+01
      2   0.358181D+01  0.265051D+01  0.100141D+02  0.157968D+02 -0.459487D+00
      3  -0.447029D+01  0.187070D+02  0.126192D+02  0.151615D+02  0.282385D+01
      4  -0.786994D+01 -0.222321D+02 -0.242846D+02  0.970678D+01 -0.593652D-01
      5  -0.245132D+02  0.409074D+01  0.234073D+01  0.253455D+00  0.269491D+02
      6   0.164136D+02 -0.109469D+01 -0.574257D-01  0.237894D+01  0.408777D+01
               211           212           213           214           215 
      1   0.877941D+01  0.115254D+02 -0.212827D+01 -0.459674D+01 -0.312448D+01
      2  -0.101374D+02 -0.277519D+01  0.178416D+01  0.126430D+01  0.252121D+01
      3   0.135802D+01 -0.875021D+01  0.344108D+00  0.333244D+01  0.603267D+00
      4   0.352877D+02 -0.197530D+02  0.476756D+01 -0.421438D+01  0.152102D+01
      5  -0.493127D+01  0.311922D+01  0.105341D+02  0.743522D+01 -0.524013D+01
      6   0.183577D+01 -0.483188D+00  0.752372D+01 -0.318259D+01  0.438611D+01
               216           217           218           219           220 
      1  -0.183510D+00 -0.459886D+02  0.529122D+02 -0.567095D+01  0.551586D+02
      2   0.110142D+01  0.259818D+02 -0.270206D+02  0.339898D+01 -0.245073D+02
      3  -0.917912D+00  0.200067D+02 -0.258917D+02  0.227198D+01 -0.306513D+02
      4  -0.619088D+01  0.528457D+02 -0.113227D+02  0.843673D+01 -0.404642D+02
      5   0.325044D+01 -0.675308D+01  0.871937D+01 -0.209006D+02  0.125043D+02
      6  -0.170563D+01  0.316306D+01 -0.401832D+00 -0.255250D+01 -0.287622D+01
               221           222           223           224           225 
      1  -0.160492D+02  0.162155D+02 -0.602590D+01  0.133413D+02 -0.115062D+02
      2   0.932292D+01 -0.696105D+01  0.196369D+01 -0.633999D+01  0.729488D+01
      3   0.672626D+01 -0.925442D+01  0.406221D+01 -0.700129D+01  0.421129D+01
      4  -0.211611D+02 -0.138092D+02  0.109840D+02 -0.970245D+01 -0.512022D+02
      5  -0.128585D+02 -0.771592D+02 -0.353609D+02 -0.524002D+02  0.164534D+02
      6  -0.390582D+01 -0.140315D+02 -0.102359D+02 -0.102829D+02 -0.124124D+01
               226           227           228           229           230 
      1  -0.437732D+01  0.125910D+02 -0.202107D+01  0.252699D+01 -0.512697D+02
      2   0.573641D+01 -0.113163D+02  0.137656D+01 -0.108536D+01  0.652214D+02
      3  -0.135909D+01 -0.127475D+01  0.644517D+00 -0.144163D+01 -0.139517D+02
      4   0.256909D+01  0.486983D+01  0.778228D-01  0.412219D+01  0.269857D+02
      5  -0.571654D+00  0.278414D+00  0.998417D+00 -0.257773D+00 -0.526390D+01
      6  -0.103590D+01  0.203563D+01 -0.153837D+01 -0.188083D+00 -0.988821D+01
               231           232           233           234           235 
      1   0.569152D+01 -0.916490D+00  0.670012D+01 -0.244016D+01  0.475829D+02
      2  -0.542188D+01  0.581704D+00 -0.722968D+01  0.300709D+01 -0.174154D+02
      3  -0.269644D+00  0.334786D+00  0.529552D+00 -0.566922D+00 -0.301675D+02
      4  -0.312427D+01  0.172392D+00 -0.283775D+01 -0.981028D+00  0.375670D+02
      5   0.295481D+01  0.153959D+01 -0.196313D+00  0.925084D-01 -0.861948D+00
      6   0.790552D+01 -0.112213D+00  0.360047D+01 -0.173179D+01  0.116776D+00
               236           237           238           239           240 
      1   0.164193D+02  0.147507D+01  0.229773D+02  0.114991D+02 -0.195935D+00
      2  -0.184830D+01 -0.683914D+00 -0.489370D+00  0.739801D+01  0.258324D+00
      3  -0.145710D+02 -0.791152D+00 -0.224879D+02 -0.188971D+02 -0.623894D-01
      4   0.271744D+02  0.690689D-01  0.408862D+02  0.387755D+02 -0.554667D+00
      5  -0.138313D+01  0.415855D+01 -0.312705D+01 -0.255088D+01  0.511141D+01
      6  -0.186853D+00  0.218901D+01 -0.124120D+01 -0.864941D+00  0.392055D+01
               241           242           243           244           245 
      1   0.167592D+01 -0.211409D+00 -0.777595D+00 -0.156036D+01 -0.545588D+01
      2  -0.171011D+01 -0.435943D+00  0.993654D+00  0.531963D+01 -0.149253D+01
      3   0.341935D-01  0.647352D+00 -0.216059D+00 -0.375927D+01  0.694841D+01
      4  -0.145416D+01 -0.151834D+01  0.206586D+01 -0.156266D+02  0.174166D+02
      5  -0.148493D+01  0.160827D+01 -0.595143D+00  0.128811D+01 -0.190600D+01
      6  -0.620601D+00  0.148350D+01 -0.423907D+00 -0.101946D+01  0.143730D+01
               246           247           248           249           250 
      1   0.138203D+00 -0.112839D+01 -0.205507D+02  0.242484D+01 -0.221394D+00
      2   0.212480D+00 -0.879273D+01  0.370347D+02 -0.308455D+01  0.804081D+00
      3  -0.350682D+00  0.992112D+01 -0.164841D+02  0.659707D+00 -0.582687D+00
      4  -0.268221D+01  0.245833D+02 -0.524919D+02  0.610326D+01 -0.361068D+01
      5   0.274283D+01 -0.206314D+01  0.360198D+01 -0.582434D+01  0.210917D+01
      6  -0.154372D+01  0.183062D+01 -0.523011D+01  0.691761D+01 -0.257790D+01
               251           252           253           254           255 
      1   0.143704D+01 -0.141745D+01  0.201628D+02  0.564434D+01 -0.178361D+02
      2  -0.323103D+01  0.296294D+01 -0.108602D+02 -0.259150D+01  0.887590D+01
      3   0.179398D+01 -0.154548D+01 -0.930257D+01 -0.305284D+01  0.896018D+01
      4   0.687357D+01 -0.186384D+01  0.686044D+01  0.560618D+01 -0.757362D+01
      5  -0.503152D+00  0.101837D+01 -0.210164D+02 -0.730698D+01  0.924877D+01
      6   0.303423D+01 -0.169822D+01 -0.310590D+01 -0.954876D+00  0.422836D+00
               256           257           258           259           260 
      1   0.186045D+02  0.112164D+02 -0.954638D+01 -0.491891D+02 -0.101840D+02
      2  -0.930761D+01 -0.351408D+01  0.384120D+01  0.284442D+02  0.498144D+01
      3  -0.929693D+01 -0.770231D+01  0.570518D+01  0.207449D+02  0.520255D+01
      4   0.258214D+02  0.252841D+02 -0.183126D+02 -0.200469D+02 -0.205956D+02
      5  -0.179846D+02 -0.189631D+02  0.316510D+02  0.434031D+02  0.287017D+02
      6  -0.341248D+01 -0.449632D+01  0.767795D+01  0.677832D+01  0.721910D+01
               261           262           263           264           265 
      1   0.165719D+02  0.698710D+01  0.623434D+01  0.146739D+02  0.211424D+02
      2  -0.155546D+02 -0.417824D+01 -0.303062D+01 -0.683122D+01 -0.110417D+02
      3  -0.101730D+01 -0.280886D+01 -0.320372D+01 -0.784271D+01 -0.101007D+02
      4   0.275101D+02  0.594088D+01  0.392127D+01  0.351227D+01  0.292371D+02
      5  -0.650946D+02  0.145791D+02  0.321360D+01  0.257602D+01  0.177668D+02
      6  -0.826165D+01  0.281152D+01  0.231874D+00 -0.407999D+00  0.641868D+01
               266           267           268           269           270 
      1   0.765793D+01  0.309751D+01  0.342636D+02  0.261123D+01  0.676954D+01
      2  -0.899860D+00 -0.226506D+01 -0.202331D+02 -0.250036D+01 -0.118732D+02
      3  -0.675807D+01 -0.832448D+00 -0.140306D+02 -0.110869D+00  0.510370D+01
      4   0.390707D+02  0.281916D+02  0.170516D+02  0.263256D+02  0.319734D+02
      5   0.276174D+02  0.378672D+02  0.346822D+02  0.322802D+02  0.498882D+02
      6   0.102678D+02  0.111456D+02  0.785660D+01  0.102952D+02  0.115914D+02
               271           272           273           274           275 
      1   0.170454D+03 -0.398110D+02  0.141998D+02 -0.785677D+02  0.308288D+02
      2  -0.875916D+02  0.200450D+02 -0.828491D+01  0.391173D+02 -0.138706D+02
      3  -0.828620D+02  0.197660D+02 -0.591490D+01  0.394504D+02 -0.169582D+02
      4  -0.471802D+02  0.243452D+02 -0.448252D+01  0.408366D+02 -0.294297D+02
      5   0.175254D+02 -0.440706D+01  0.182502D+02 -0.808414D+01  0.515555D+01
      6  -0.188107D+01  0.103063D+01 -0.107431D+01  0.195816D+01 -0.132292D+01
               276           277           278           279 
      1  -0.664121D+01  0.191385D+02 -0.492940D+01  0.183915D+02
      2   0.382287D+01 -0.112575D+02  0.285608D+01 -0.108364D+02
      3   0.281833D+01 -0.788094D+01  0.207331D+01 -0.755508D+01
      4   0.531271D+01 -0.578442D+01  0.474291D+01 -0.199809D+01
      5  -0.696524D+01  0.265638D+02 -0.179874D+01  0.551074D+01
      6   0.259388D+01 -0.177144D+01  0.298584D+01 -0.606747D+00
 Leave Link  716 at Fri Aug 13 02:55:29 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.308823D+03  0.145352D+02  0.116367D+02
      2   0.145352D+02  0.169810D+03 -0.373733D+01
      3   0.116367D+02 -0.373733D+01  0.122765D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.811654D+01  0.277893D+02  0.679382D+01
      2  -0.471252D+02  0.981837D+01  0.244587D+02
      3   0.933820D+01  0.603225D+02 -0.704311D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.342219D+03 -0.899043D+01 -0.486871D+02
      2   0.140175D+03  0.148197D+02 -0.710824D+01
      3   0.202044D+03 -0.582924D+01  0.557953D+02
      4  -0.168474D+02 -0.145044D+03  0.215850D+02
      5   0.328324D+02  0.204291D+02  0.592501D+02
      6   0.482996D+01  0.467105D+02 -0.242925D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.380573D+02  0.758812D+01  0.166602D+01 -0.490790D+02 -0.511799D+01
      2   0.758812D+01  0.347148D+01  0.282139D+00 -0.511799D+01 -0.564335D+01
      3   0.166602D+01  0.282139D+00 -0.288953D+00 -0.281763D+01  0.170654D+00
                 6             7             8             9            10 
      1  -0.281763D+01  0.791256D+01  0.130329D+01  0.175039D+01 -0.293604D+02
      2   0.170654D+00  0.130329D+01  0.687617D+00 -0.106283D+01 -0.539389D+01
      3   0.118896D+00  0.175039D+01 -0.106283D+01  0.342530D+00 -0.123897D+01
                11            12            13            14            15 
      1  -0.539389D+01 -0.123897D+01  0.531617D+02  0.624731D+01  0.316055D+01
      2  -0.590426D+00 -0.223087D+00  0.624731D+01  0.667602D+01 -0.104590D+00
      3  -0.223087D+00 -0.231129D-01  0.316055D+01 -0.104590D+00 -0.318764D+00
                16            17            18            19            20 
      1  -0.801320D+01 -0.122669D+01 -0.862016D+00 -0.501930D+02 -0.990725D+01
      2  -0.122669D+01 -0.599637D+00  0.991294D+00 -0.990725D+01 -0.944164D+01
      3  -0.862016D+00  0.991294D+00 -0.119991D+00 -0.172015D+01  0.434098D+00
                21            22            23            24            25 
      1  -0.172015D+01 -0.144105D+02 -0.191785D+01  0.133199D+00 -0.241812D+01
      2   0.434098D+00 -0.191785D+01 -0.439739D+01 -0.556414D+00  0.272570D+00
      3  -0.578437D+00  0.133199D+00 -0.556414D+00 -0.221072D+01  0.629616D+00
                26            27            28            29            30 
      1   0.272570D+00  0.629616D+00  0.477257D+02  0.410958D+01  0.144571D+01
      2  -0.111658D+01 -0.363156D+01  0.410958D+01  0.576767D+01 -0.230093D-01
      3  -0.363156D+01  0.117547D+01  0.144571D+01 -0.230093D-01  0.235252D+01
                31            32            33            34            35 
      1   0.367675D+01  0.355207D+01  0.583087D+00  0.103132D+01  0.591600D+00
      2   0.355207D+01  0.143883D+02 -0.739137D+00  0.591600D+00 -0.328486D+00
      3   0.583087D+00 -0.739137D+00  0.420756D+00  0.600141D+01  0.697138D+00
                36            37            38            39            40 
      1   0.600141D+01  0.103268D+02 -0.137520D+01  0.395206D+00  0.590814D+01
      2   0.697138D+00 -0.137520D+01  0.118065D+02 -0.872428D+00  0.676944D+00
      3   0.738202D+00  0.395206D+00 -0.872428D+00  0.256845D+01  0.479775D+00
                41            42            43            44            45 
      1   0.676944D+00  0.479775D+00  0.252403D+00  0.222918D+00  0.455527D+01
      2  -0.922481D+01  0.112410D+01  0.222918D+00  0.237425D+01  0.156766D+01
      3   0.112410D+01  0.783130D+00  0.455527D+01  0.156766D+01  0.692490D+00
                46            47            48            49            50 
      1  -0.150864D+02  0.207524D+01 -0.135938D+01  0.135791D+01  0.220307D+01
      2   0.207524D+01 -0.852284D+01  0.107380D+00  0.220307D+01  0.457552D+00
      3  -0.135938D+01  0.107380D+00 -0.170959D+01 -0.350419D+00  0.861320D+00
                51            52            53            54            55 
      1  -0.350419D+00 -0.129362D+01 -0.654322D+00 -0.891820D+00  0.438509D+01
      2   0.861320D+00 -0.654322D+00  0.189355D+00  0.428018D+01 -0.329201D+01
      3   0.187931D+01 -0.891820D+00  0.428018D+01 -0.125163D+01  0.579551D+00
                56            57            58            59            60 
      1  -0.329201D+01  0.579551D+00 -0.281789D+01 -0.365518D+01  0.380885D+00
      2   0.604276D+01 -0.420788D+00 -0.365518D+01 -0.212170D+01 -0.693583D+00
      3  -0.420788D+00  0.220314D+01  0.380885D+00 -0.693583D+00 -0.175285D+01
                61            62            63            64            65 
      1   0.718149D+00  0.491503D+00 -0.124811D+00  0.517673D+00 -0.202455D+01
      2   0.491503D+00 -0.140725D+00 -0.408059D+01 -0.202455D+01  0.100209D+01
      3  -0.124811D+00 -0.408059D+01  0.141410D+01  0.296641D+00 -0.283448D+00
                66            67            68            69            70 
      1   0.296641D+00 -0.208482D+01  0.265897D+01 -0.446343D+00  0.419280D+00
      2  -0.283448D+00  0.265897D+01 -0.775211D+01  0.108812D+01 -0.556845D+00
      3   0.170758D+00 -0.446343D+00  0.108812D+01 -0.944860D+00  0.307396D-01
                71            72            73            74            75 
      1  -0.556845D+00  0.307396D-01  0.735616D+01  0.315203D+01  0.367418D+00
      2   0.996147D+00 -0.258448D+00  0.315203D+01  0.275399D+01 -0.249958D-01
      3  -0.258448D+00  0.208335D+00  0.367418D+00 -0.249958D-01  0.644328D+00
                76            77            78            79            80 
      1   0.417327D+01  0.413118D+01 -0.148352D+00  0.370515D+00 -0.341436D+00
      2   0.413118D+01  0.421318D+01  0.106480D-01 -0.341436D+00 -0.219481D+00
      3  -0.148352D+00  0.106480D-01  0.607395D+00 -0.227128D+00  0.329621D+00
                81            82            83            84            85 
      1  -0.227128D+00 -0.755828D+00  0.137847D+01 -0.210119D+00  0.533391D+00
      2   0.329621D+00  0.137847D+01 -0.157862D+01  0.277785D+00 -0.715216D+00
      3  -0.129300D+00 -0.210119D+00  0.277785D+00 -0.166733D+00  0.581521D-01
                86            87            88            89            90 
      1  -0.715216D+00  0.581521D-01 -0.230151D+00  0.252097D+00  0.112759D+00
      2   0.107683D+02 -0.104974D+01  0.252097D+00 -0.129864D+01  0.239253D+00
      3  -0.104974D+01  0.975575D+00  0.112759D+00  0.239253D+00 -0.146333D+00
                91            92            93            94            95 
      1  -0.162130D+02 -0.192606D+01  0.929277D-01 -0.771314D+00 -0.316707D+00
      2  -0.192606D+01  0.431709D+00 -0.584223D+00 -0.316707D+00  0.514367D+01
      3   0.929277D-01 -0.584223D+00 -0.369022D+01 -0.198462D+01 -0.820207D+00
                96            97            98            99           100 
      1  -0.198462D+01 -0.114897D+00 -0.138965D+01 -0.766390D+01 -0.599343D+01
      2  -0.820207D+00 -0.138965D+01 -0.558169D+00 -0.101184D+01  0.291907D+01
      3  -0.108119D+01 -0.766390D+01 -0.101184D+01  0.482297D+00 -0.148608D+01
               101           102           103           104           105 
      1   0.291907D+01 -0.148608D+01  0.732066D+01 -0.144950D+00  0.171369D+01
      2  -0.570264D+00  0.314353D+00 -0.144950D+00 -0.490124D+01 -0.485736D-01
      3   0.314353D+00  0.389175D+01  0.171369D+01 -0.485736D-01  0.283448D+01
               106           107           108           109           110 
      1   0.417452D+01  0.106841D+01  0.550791D+01 -0.574725D+01 -0.142565D+01
      2   0.106841D+01  0.535632D+00  0.209078D+01 -0.142565D+01 -0.165090D+00
      3   0.550791D+01  0.209078D+01 -0.662934D+00  0.163662D-01  0.422131D+00
               111           112           113           114           115 
      1   0.163662D-01 -0.163731D+01 -0.103129D+00  0.112016D+01 -0.693877D+01
      2   0.422131D+00 -0.103129D+00 -0.905371D+00 -0.137794D+00  0.517966D+00
      3   0.160674D+01  0.112016D+01 -0.137794D+00  0.681050D+00  0.412250D+01
               116           117           118           119           120 
      1   0.517966D+00  0.412250D+01 -0.154623D+01 -0.111225D+01  0.667067D-01
      2  -0.106267D+01  0.288528D+00 -0.111225D+01  0.443504D+00 -0.281755D-01
      3   0.288528D+00 -0.127677D+01  0.667067D-01 -0.281755D-01  0.712584D+00
               121           122           123           124           125 
      1  -0.272081D+01  0.177611D+01 -0.637686D-01 -0.204608D+00 -0.856961D-01
      2   0.177611D+01 -0.679482D+01  0.792963D+00 -0.856961D-01  0.690231D+00
      3  -0.637686D-01  0.792963D+00 -0.150996D+01  0.116722D+01 -0.100171D+01
               126           127           128           129           130 
      1   0.116722D+01  0.141924D+02 -0.171352D+01  0.338685D+01 -0.379187D+01
      2  -0.100171D+01 -0.171352D+01  0.129561D+01 -0.266216D+00  0.173076D+01
      3   0.672730D+00  0.338685D+01 -0.266216D+00  0.205853D+01 -0.115280D+01
               131           132           133           134           135 
      1   0.173076D+01 -0.115280D+01  0.142220D+01 -0.348630D+00  0.134465D+01
      2  -0.518821D+00  0.434096D+00 -0.348630D+00 -0.353529D-01 -0.538246D+00
      3   0.434096D+00 -0.113070D+01  0.134465D+01 -0.538246D+00  0.649769D+00
               136           137           138           139           140 
      1  -0.726150D+00 -0.465103D+00  0.107563D+01 -0.115400D+01 -0.191759D-01
      2  -0.465103D+00 -0.477352D+00  0.169832D+00 -0.191759D-01 -0.142323D+00
      3   0.107563D+01  0.169832D+00 -0.332948D+01 -0.223859D+00  0.117737D+01
               141           142           143           144           145 
      1  -0.223859D+00  0.718641D+00 -0.584048D-01 -0.609167D+00  0.891492D+00
      2   0.117737D+01 -0.584048D-01  0.999103D+00 -0.924607D+00  0.884374D+00
      3  -0.192247D+01 -0.609167D+00 -0.924607D+00  0.772024D+01  0.291204D-01
               146           147           148           149           150 
      1   0.884374D+00  0.291204D-01  0.243182D+01  0.121500D+01  0.907255D+00
      2   0.473373D+00  0.790459D-01  0.121500D+01  0.654676D+01  0.112607D+01
      3   0.790459D-01 -0.377537D+00  0.907255D+00  0.112607D+01  0.169657D+01
               151           152           153           154           155 
      1  -0.641834D+00  0.158809D+00 -0.328527D+00  0.196170D+02  0.221036D+01
      2   0.158809D+00  0.579576D-01  0.688911D+00  0.221036D+01  0.160891D+01
      3  -0.328527D+00  0.688911D+00  0.245306D+00 -0.126358D+01 -0.370725D-01
               156           157           158           159           160 
      1  -0.126358D+01  0.435909D+01  0.404035D+01 -0.619123D+00 -0.213864D+01
      2  -0.370725D-01  0.404035D+01  0.208675D+01 -0.303742D+00 -0.433236D+00
      3   0.260471D+01 -0.619123D+00 -0.303742D+00  0.703613D+00  0.283760D+01
               161           162           163           164           165 
      1  -0.433236D+00  0.283760D+01  0.108175D+02  0.803447D-01 -0.377904D+01
      2   0.349020D+00  0.686809D+00  0.803447D-01 -0.287699D-01  0.364020D+00
      3   0.686809D+00  0.367360D-01 -0.377904D+01  0.364020D+00  0.739368D+00
               166           167           168           169           170 
      1   0.213043D+01 -0.155958D+00 -0.285267D+00 -0.194637D+01  0.494331D+00
      2  -0.155958D+00 -0.705103D+00 -0.148264D+01  0.494331D+00 -0.518098D+00
      3  -0.285267D+00 -0.148264D+01 -0.209105D+00  0.681930D+00 -0.872430D+00
               171           172           173           174           175 
      1   0.681930D+00 -0.959404D+01 -0.623023D-01  0.184873D+01 -0.120201D+01
      2  -0.872430D+00 -0.623023D-01 -0.321141D+00 -0.542475D+00  0.118089D+00
      3  -0.710313D+01  0.184873D+01 -0.542475D+00 -0.240383D+01  0.464028D-02
               176           177           178           179           180 
      1   0.118089D+00  0.464028D-02  0.519960D+01 -0.472275D+00 -0.201553D+01
      2  -0.703593D+00 -0.680009D+00 -0.472275D+00 -0.944904D+00  0.428322D-01
      3  -0.680009D+00 -0.534932D+00 -0.201553D+01  0.428322D-01 -0.280383D+00
               181           182           183           184           185 
      1  -0.720626D+01  0.949801D+00 -0.622061D-01 -0.131239D+02 -0.156628D+01
      2   0.949801D+00 -0.969195D+01  0.116323D+01 -0.156628D+01  0.655618D+01
      3  -0.622061D-01  0.116323D+01 -0.290973D+01 -0.118107D+01 -0.137161D+01
               186           187           188           189           190 
      1  -0.118107D+01  0.152234D+01 -0.960118D-03 -0.418709D+01 -0.429765D+02
      2  -0.137161D+01 -0.960118D-03 -0.199243D+01 -0.223822D+01 -0.464557D+01
      3  -0.130949D+01 -0.418709D+01 -0.223822D+01 -0.184963D+00 -0.166781D+01
               191           192           193           194           195 
      1  -0.464557D+01 -0.166781D+01  0.893376D+00 -0.315812D+01 -0.252472D+00
      2  -0.103041D+02  0.348711D+00 -0.315812D+01 -0.120997D+02  0.131524D+01
      3   0.348711D+00 -0.427839D+01 -0.252472D+00  0.131524D+01  0.386088D+00
               196           197           198           199           200 
      1  -0.247967D+01 -0.791179D+00 -0.717932D+01  0.411146D+02  0.869719D+01
      2  -0.791179D+00  0.350814D+00 -0.415196D+00  0.869719D+01  0.774396D+01
      3  -0.717932D+01 -0.415196D+00 -0.134070D+01  0.182917D+01 -0.674640D+00
               201           202           203           204           205 
      1   0.182917D+01  0.151283D+02  0.274013D+01  0.568819D+00  0.176725D+01
      2  -0.674640D+00  0.274013D+01  0.517663D+01  0.409761D+00  0.184682D-01
      3   0.930015D+00  0.568819D+00  0.409761D+00  0.267966D+01  0.146939D+00
               206           207           208           209           210 
      1   0.184682D-01  0.146939D+00  0.127641D+02  0.374128D+01  0.496871D+00
      2   0.112085D+01  0.441263D+01  0.374128D+01  0.334585D+01 -0.547086D-01
      3   0.441263D+01 -0.124581D+01  0.496871D+00 -0.547086D-01  0.255219D+00
               211           212           213           214           215 
      1  -0.386574D+01 -0.314430D+01  0.170232D+00  0.147726D+01  0.599294D+00
      2  -0.314430D+01  0.132749D+01 -0.484399D+00  0.599294D+00  0.245008D+00
      3   0.170232D+00 -0.484399D+00 -0.129346D+01  0.145924D+00  0.661954D+00
               216           217           218           219           220 
      1   0.145924D+00 -0.687044D+00 -0.430389D+01  0.808882D-01 -0.409841D+01
      2   0.661954D+00 -0.430389D+01 -0.106922D+00 -0.642425D+00  0.306784D+01
      3  -0.102447D-01  0.808882D-01 -0.642425D+00  0.109872D+01 -0.882756D+00
               221           222           223           224           225 
      1   0.306784D+01 -0.882756D+00  0.710227D-01 -0.806911D+00  0.284161D+01
      2   0.136680D+01  0.123260D+01 -0.806911D+00  0.854273D+00  0.438219D+01
      3   0.123260D+01  0.615189D+01  0.284161D+01  0.438219D+01 -0.118934D+01
               226           227           228           229           230 
      1   0.335741D+00 -0.133519D+01  0.173809D+00 -0.372637D+00  0.167589D+00
      2  -0.133519D+01  0.152800D+01 -0.291937D+00  0.167589D+00 -0.102125D+02
      3   0.173809D+00 -0.291937D+00  0.152387D+00 -0.601126D-03  0.105957D+01
               231           232           233           234           235 
      1  -0.601126D-03  0.672562D-01 -0.159826D+00 -0.645697D-01 -0.761031D+01
      2   0.105957D+01 -0.159826D+00  0.120779D+01 -0.219912D+00 -0.346203D+01
      3  -0.945426D+00 -0.645697D-01 -0.219912D+00  0.130794D+00 -0.225728D+00
               236           237           238           239           240 
      1  -0.346203D+01 -0.225728D+00 -0.514574D+01 -0.433052D+01  0.149774D+00
      2  -0.271494D+01  0.260622D-02 -0.433052D+01 -0.425148D+01  0.427203D-01
      3   0.260622D-02 -0.378956D+00  0.149774D+00  0.427203D-01 -0.545407D+00
               241           242           243           244           245 
      1  -0.156304D+00  0.222711D+00  0.403228D+00 -0.691603D+00  0.217991D+01
      2   0.222711D+00  0.182619D+00 -0.142285D+00  0.217991D+01 -0.161791D+01
      3   0.403228D+00 -0.142285D+00  0.123284D+00 -0.249962D+00  0.329524D+00
               246           247           248           249           250 
      1  -0.249962D+00  0.255033D+01 -0.323564D+01  0.433526D+00 -0.289575D+00
      2   0.329524D+00 -0.323564D+01  0.875551D+01 -0.104732D+01  0.520349D+00
      3  -0.310977D+00  0.433526D+00 -0.104732D+01  0.103868D+01 -0.295393D+00
               251           252           253           254           255 
      1   0.520349D+00 -0.295393D+00 -0.958253D+00 -0.410334D+00  0.168390D+01
      2  -0.107243D+01  0.196503D+00 -0.410334D+00 -0.129942D+00  0.495252D+00
      3   0.196503D+00 -0.160979D+00  0.168390D+01  0.495252D+00 -0.466738D+00
               256           257           258           259           260 
      1  -0.183929D+01 -0.186646D+01  0.133175D+01  0.511394D+01  0.150091D+01
      2  -0.186646D+01 -0.198972D+01  0.153867D+01  0.150091D+01  0.168587D+01
      3   0.133175D+01  0.153867D+01 -0.251925D+01 -0.326199D+01 -0.237027D+01
               261           262           263           264           265 
      1  -0.326199D+01  0.125190D+00 -0.398546D+00 -0.110519D+01 -0.231673D+01
      2  -0.237027D+01 -0.398546D+00  0.677289D-01 -0.138271D+00 -0.215006D+01
      3   0.540501D+01 -0.110519D+01 -0.138271D+00  0.971576D-01 -0.138669D+01
               266           267           268           269           270 
      1  -0.215006D+01 -0.138669D+01 -0.372143D+01 -0.131646D+01 -0.272209D+01
      2  -0.326466D+01 -0.246577D+01 -0.131646D+01 -0.227328D+01 -0.284707D+01
      3  -0.246577D+01 -0.319415D+01 -0.272209D+01 -0.284707D+01 -0.453313D+01
               271           272           273           274           275 
      1  -0.128808D+02  0.328756D+01 -0.116332D+01  0.680680D+01 -0.272789D+01
      2   0.328756D+01 -0.152121D+01  0.317789D+00 -0.272789D+01  0.216553D+01
      3  -0.116332D+01  0.317789D+00 -0.117369D+01  0.600280D+00 -0.398367D+00
               276           277           278           279 
      1   0.600280D+00 -0.165104D+01  0.407301D+00 -0.184634D+01
      2  -0.398367D+00  0.407301D+00 -0.365640D+00  0.589168D-01
      3   0.465639D+00 -0.184634D+01  0.589168D-01 -0.401660D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.137269D+01 -0.345451D+01  0.348784D+00 -0.313976D+01 -0.205959D+01
      2  -0.994924D+01  0.354755D+01 -0.822303D+00  0.139636D+02  0.301769D+01
      3  -0.880764D+01  0.418412D+02 -0.519226D+01  0.424154D+02  0.212336D+02
                 6             7             8             9            10 
      1  -0.815121D-01  0.430312D+01  0.725322D+01 -0.532754D+00 -0.178776D+01
      2  -0.796901D-02 -0.212081D+02 -0.214228D+01 -0.148462D+01  0.123137D+02
      3   0.201419D+00 -0.180766D+01  0.178198D+01 -0.220720D+01  0.169278D+02
                11            12            13            14            15 
      1  -0.478940D+01 -0.405177D-01 -0.376844D+01  0.725778D+00  0.776584D+00
      2   0.672701D+01 -0.497810D+01 -0.861025D+01  0.813700D+00 -0.163437D+00
      3   0.533192D+02 -0.424539D+01  0.551522D+02  0.173635D+02  0.254501D+01
                16            17            18            19            20 
      1   0.273597D+01  0.648892D+01 -0.713330D+00 -0.256734D+01  0.472491D+00
      2  -0.194501D+02 -0.454495D+00 -0.170010D+01  0.182763D+02 -0.451065D+00
      3  -0.192149D+01  0.331639D+01  0.109020D+01  0.237743D+02 -0.299730D+02
                21            22            23            24            25 
      1  -0.109267D+01  0.113938D+01 -0.203586D+01 -0.319923D+01  0.319301D+01
      2  -0.354664D+00  0.358698D+01  0.389908D+00 -0.217557D+01 -0.181985D+02
      3   0.482236D+01  0.973605D+01  0.317625D+01  0.541752D+00  0.201413D+01
                26            27            28            29            30 
      1  -0.570766D+00 -0.128740D+01 -0.142989D+01 -0.650457D+00  0.197020D+00
      2  -0.687233D+01  0.552321D+00 -0.150916D+02 -0.702421D+00  0.180301D+01
      3  -0.177528D+01  0.449050D+01 -0.562823D+00  0.508255D+01 -0.100832D+01
                31            32            33            34            35 
      1  -0.411193D+01  0.548508D+01  0.198751D+01  0.200510D+01  0.127983D+02
      2   0.198117D+01 -0.429112D+00  0.178043D+01 -0.143681D+02 -0.148029D+01
      3   0.268660D+02  0.729001D+01 -0.706386D+00 -0.272140D-01  0.544422D+00
                36            37            38            39            40 
      1  -0.109595D+01 -0.133264D+01  0.157245D+01 -0.597031D+01 -0.666379D+00
      2  -0.205360D+01  0.175103D+01  0.609902D+00  0.317334D+01 -0.505798D+01
      3  -0.213154D+01  0.301321D+02  0.223752D+01  0.505701D+00 -0.101426D+02
                41            42            43            44            45 
      1  -0.173346D+01  0.325987D+00 -0.147229D+02  0.879604D+01 -0.218188D+01
      2   0.839538D+00  0.368765D+00 -0.806240D+01  0.576310D+01 -0.123376D+01
      3   0.677257D+00  0.844141D+00  0.268173D+01  0.177281D+01  0.565837D+01
                46            47            48            49            50 
      1   0.378372D+01  0.157940D+01  0.501528D+01  0.220089D+01  0.918669D+00
      2  -0.232805D+01 -0.500299D+01  0.165522D+00 -0.330277D+01 -0.288739D+01
      3  -0.559196D+02 -0.357957D+02  0.928385D+00 -0.691650D+01 -0.219228D+02
                51            52            53            54            55 
      1  -0.390116D+01  0.595079D+01 -0.347160D+01  0.320659D+01  0.111649D+01
      2   0.102343D+01 -0.171274D+02  0.180580D+01 -0.192518D+01 -0.145144D+01
      3   0.650934D+00 -0.148925D+01 -0.179934D+01 -0.505468D+01 -0.302501D+02
                56            57            58            59            60 
      1   0.490642D+01  0.459886D+01 -0.103698D-01  0.949736D+00 -0.381733D+01
      2  -0.450155D+01 -0.605938D+01 -0.175602D+01 -0.639877D+00  0.398596D+01
      3  -0.344588D+02  0.364432D+01 -0.259719D-01 -0.242824D+02  0.767198D+00
                61            62            63            64            65 
      1   0.355943D+01 -0.307136D+01  0.156344D+01 -0.485610D+00 -0.125624D+00
      2  -0.216659D+02  0.625433D+01 -0.462628D+01  0.120499D+00  0.479599D+00
      3   0.101798D+01 -0.263785D+01 -0.934719D+01  0.523037D+00  0.334082D+00
                66            67            68            69            70 
      1   0.832117D+00  0.618870D+00 -0.200351D+01 -0.377036D+01  0.223691D+00
      2   0.211155D+00  0.867376D+00  0.147138D+00 -0.124607D+01 -0.184051D+01
      3   0.664813D-01  0.445536D+01  0.564110D+01 -0.657043D+00 -0.100726D+00
                71            72            73            74            75 
      1   0.262323D+01  0.409092D+00 -0.100802D+01  0.285943D+00 -0.297966D+01
      2   0.102441D+01 -0.444312D-01 -0.759152D+00 -0.745081D+00  0.243087D+01
      3  -0.567869D+00 -0.586606D+00  0.115823D+02 -0.105097D+00  0.897326D+00
                76            77            78            79            80 
      1   0.140793D+01  0.838453D+00 -0.256593D+01  0.163219D+01  0.937191D+00
      2  -0.144724D+01 -0.934319D+00  0.251878D+01 -0.258311D+01  0.339483D+00
      3   0.180262D+01 -0.146902D+01 -0.319955D+00  0.241952D+01 -0.143135D+00
                81            82            83            84            85 
      1   0.147942D+00  0.742386D+00 -0.787880D+00  0.106628D+01 -0.332456D+00
      2  -0.354044D+00 -0.330468D+00  0.416850D-01  0.438679D+00  0.386805D+00
      3  -0.379871D+00 -0.440722D+01  0.212550D+01 -0.621703D+00  0.507961D+01
                86            87            88            89            90 
      1   0.252318D+01 -0.514092D+01 -0.118625D+01  0.203803D+01  0.273340D+00
      2  -0.359552D+00 -0.642430D+00 -0.817795D+00 -0.876384D+00  0.289138D+00
      3  -0.345271D+01  0.567703D+00 -0.108680D+01  0.114730D+01  0.930310D+00
                91            92            93            94            95 
      1  -0.208982D+01 -0.399790D+00 -0.129423D+01 -0.234391D+01  0.255125D+01
      2   0.121671D+02 -0.712062D+00 -0.894776D+01 -0.465787D+01 -0.279086D+01
      3   0.690206D+01 -0.547895D+01  0.169150D+01  0.968766D+01 -0.231131D+02
                96            97            98            99           100 
      1  -0.323897D+01 -0.448976D+01  0.315437D+01 -0.953302D+00  0.579506D+01
      2  -0.208295D+01 -0.358666D+02 -0.292350D+01  0.548598D+01  0.978124D+01
      3   0.471562D+01  0.392839D+01  0.327679D+01  0.635262D+01 -0.174729D+02
               101           102           103           104           105 
      1   0.438337D+00  0.478942D-01 -0.210599D+01 -0.121327D+02 -0.380859D+01
      2  -0.328102D+01  0.234103D+02 -0.185424D+01  0.117585D+01  0.953094D+01
      3  -0.148774D+01 -0.284827D+01  0.422375D+01  0.251951D+02  0.677475D+00
               106           107           108           109           110 
      1   0.199340D+01  0.191904D+01  0.708030D+01  0.471019D+01  0.267257D+01
      2   0.161618D+02  0.775680D+01 -0.125979D+02 -0.166360D+02  0.288364D+00
      3  -0.483809D+01 -0.392020D+00 -0.981264D+01  0.246423D+01  0.134434D+02
               111           112           113           114           115 
      1   0.686753D+01  0.118047D+02 -0.272077D+00 -0.159148D+02  0.533403D+01
      2   0.437830D+01  0.341638D+01 -0.118874D+01 -0.524134D+01  0.105762D+02
      3   0.197005D+00  0.176778D+02  0.115324D+02 -0.261662D+01 -0.200018D-01
               116           117           118           119           120 
      1  -0.511406D+01 -0.193479D+00 -0.480752D+00  0.483574D+00  0.179293D+00
      2  -0.184532D+01 -0.235084D+01  0.124615D+01  0.541086D+00  0.297720D+01
      3  -0.935277D+00 -0.291018D+01  0.701607D+01 -0.133827D+01 -0.149188D+00
               121           122           123           124           125 
      1   0.750776D+00 -0.426083D+01 -0.230006D+01  0.145268D+00  0.715155D+00
      2   0.112276D+01  0.162211D+01 -0.472928D+01  0.225356D+01 -0.289390D+01
      3  -0.120889D+01  0.248595D+02 -0.290323D+01  0.422176D+00 -0.252157D+01
               126           127           128           129           130 
      1   0.283546D+00 -0.318883D+01  0.362820D+01 -0.182571D+00  0.347049D+01
      2   0.153642D+01 -0.111942D+02  0.213650D+01  0.600944D+01  0.177302D+01
      3   0.282231D+01  0.872559D+01 -0.881338D+01  0.147095D+01 -0.685947D+01
               131           132           133           134           135 
      1  -0.679454D+00 -0.280733D+00 -0.102544D+01  0.816965D+00 -0.114429D+01
      2  -0.130257D+01 -0.348505D+01  0.231531D+01 -0.155054D+01 -0.595231D-01
      3   0.160651D+01 -0.166908D+01  0.129541D+01 -0.138340D+01  0.255150D+01
               136           137           138           139           140 
      1  -0.164124D+01 -0.244321D+01  0.739839D+00 -0.795129D+00 -0.635101D+00
      2   0.847985D+01  0.197503D+01 -0.148864D+02  0.170059D+01  0.471620D+01
      3   0.234803D+01  0.172664D+01 -0.816515D+00  0.156044D+01  0.296531D+00
               141           142           143           144           145 
      1   0.145711D+01  0.939080D-01  0.421981D+01 -0.299094D+01  0.299808D+01
      2  -0.739517D+01 -0.720412D+01 -0.410407D+01  0.318031D+02 -0.115187D+01
      3  -0.443888D+01  0.377990D+00 -0.322298D+01  0.402014D+01 -0.528622D+01
               146           147           148           149           150 
      1   0.648206D+00  0.452732D+00  0.106800D+01  0.148660D+02 -0.109016D+01
      2  -0.115250D+01 -0.111515D+01 -0.633487D+00  0.207000D+01  0.548026D+01
      3  -0.143689D+01 -0.106235D+01 -0.303811D+00 -0.290275D+02 -0.348727D+01
               151           152           153           154           155 
      1   0.823690D+00  0.675944D+00  0.155777D+01 -0.420029D+01 -0.285601D+01
      2  -0.133983D+01  0.226145D+01  0.121620D+01  0.837829D+01  0.138700D+01
      3  -0.256383D+01  0.412029D+00 -0.319954D+01 -0.132410D+02 -0.217319D+02
               156           157           158           159           160 
      1  -0.250771D+01 -0.817260D+01 -0.252407D+01  0.573099D+00 -0.359536D+00
      2   0.209764D+02 -0.335324D+01  0.160614D+01  0.703996D+01  0.860389D+01
      3  -0.112177D+00 -0.165536D+02 -0.137948D+02  0.205872D+01  0.121208D+01
               161           162           163           164           165 
      1   0.348870D+01 -0.103794D+01 -0.532907D+01 -0.135529D+01 -0.509984D+00
      2   0.312063D+01  0.122620D+01  0.892513D+01  0.244103D+01  0.438985D+00
      3   0.186034D+01 -0.371149D+01 -0.800943D+01 -0.401080D+01  0.714237D+00
               166           167           168           169           170 
      1  -0.404667D+01  0.151496D+01  0.454665D+01  0.247765D+01  0.804558D+01
      2   0.360487D+01 -0.606868D+01  0.613748D+00 -0.800542D+01 -0.285257D+01
      3  -0.848744D+00  0.216353D+01  0.716850D+01  0.519689D+00  0.258828D+01
               171           172           173           174           175 
      1  -0.337180D+01  0.520523D+01  0.126115D+01 -0.190822D+01  0.443164D+01
      2  -0.246782D+02 -0.200310D+02 -0.242765D+01 -0.489261D+01 -0.342940D+01
      3   0.344688D+01  0.908453D+01  0.208133D+01 -0.855723D-01  0.552935D+01
               176           177           178           179           180 
      1  -0.457784D+00 -0.225107D+01 -0.250865D+01 -0.362873D+00  0.103425D+01
      2  -0.247854D+01 -0.139276D+01 -0.387380D+00 -0.245788D+00 -0.237119D+01
      3   0.100440D+01  0.117882D+01 -0.298474D+01 -0.386501D+00  0.142728D+01
               181           182           183           184           185 
      1   0.398146D+00 -0.364580D+01 -0.592918D+01 -0.540659D+00  0.146234D+01
      2   0.250390D+01  0.768698D+00  0.951581D+01  0.103748D+01  0.228473D+01
      3   0.161236D+02  0.450578D+01 -0.705147D+00 -0.123881D+02  0.680709D+01
               186           187           188           189           190 
      1  -0.110045D+01 -0.122657D+02  0.669966D+01 -0.235496D+01 -0.181220D+01
      2   0.393128D+01 -0.238034D+01  0.106661D+02 -0.828797D-02  0.113822D+02
      3  -0.189326D+01  0.166621D+01 -0.961371D+00  0.425094D-01  0.184152D+02
               191           192           193           194           195 
      1  -0.470244D+01  0.230170D+01 -0.390185D+01 -0.997093D+00  0.372889D+01
      2   0.409862D+01  0.338733D+01  0.482766D+01  0.125229D+01 -0.611297D+00
      3   0.201293D+02 -0.766241D+00  0.386231D+02  0.558955D+01  0.273449D+01
               196           197           198           199           200 
      1   0.168650D+00  0.124617D+02 -0.178827D+01  0.199582D+00  0.495408D+01
      2   0.372393D+01 -0.410950D+01  0.256301D+01 -0.831503D+01 -0.531366D+01
      3  -0.257347D+01  0.238154D+01 -0.362291D+00  0.325099D+01 -0.421662D+02
               201           202           203           204           205 
      1  -0.893483D+00  0.129676D+01  0.159922D+01 -0.373269D+01  0.460767D+01
      2   0.182010D+01 -0.520484D+01 -0.395074D+01 -0.584435D+01 -0.197036D+02
      3   0.363863D+01 -0.213209D+01 -0.894371D+01  0.192019D+01  0.224146D+01
               206           207           208           209           210 
      1   0.160026D+01  0.104260D+01  0.135304D+01  0.384600D+01 -0.177600D+01
      2  -0.156230D+02  0.226160D+01 -0.432419D+01 -0.345031D+01  0.140177D+02
      3   0.436031D+00  0.903845D+01 -0.678484D+01 -0.382989D+02  0.163286D+01
               211           212           213           214           215 
      1  -0.525615D+00 -0.152426D+01 -0.435244D+01 -0.234121D+01 -0.101891D+01
      2  -0.212063D+00  0.286419D+01  0.614935D+01 -0.677049D+01 -0.156011D+01
      3   0.616275D+00  0.147598D+02 -0.219892D+01 -0.695691D+00 -0.449642D+01
               216           217           218           219           220 
      1   0.243283D+00  0.672629D+00 -0.153696D+01  0.138412D+01 -0.102724D+01
      2   0.389213D+00 -0.267046D+00  0.431620D+01 -0.765626D+01  0.489742D+01
      3   0.292062D+01 -0.295897D+02  0.142708D+02 -0.575674D+01  0.294726D+02
               221           222           223           224           225 
      1  -0.562384D+00  0.255880D+01  0.952625D+01  0.455701D+01 -0.161813D+01
      2  -0.600027D+01 -0.398625D+02 -0.228393D+02 -0.286763D+02  0.818455D+01
      3   0.200400D+02  0.803536D+01 -0.510889D+01  0.611511D+01  0.297907D+02
               226           227           228           229           230 
      1   0.185630D+00 -0.275781D+00  0.977957D+00  0.677469D-02 -0.703069D+00
      2  -0.749526D+00  0.866569D+00  0.899099D-01  0.452758D+00 -0.219629D+01
      3  -0.629318D+01  0.425692D+01 -0.103766D+01  0.431217D+01 -0.206274D+02
               231           232           233           234           235 
      1  -0.455469D+01 -0.241293D+00  0.292981D+01  0.148027D+00 -0.104908D+01
      2   0.104525D+01 -0.337644D+00 -0.227091D+00  0.703698D-01  0.222511D+01
      3   0.225164D+01 -0.106621D+01  0.307345D+01  0.138504D+00  0.406599D+01
               236           237           238           239           240 
      1  -0.393503D+00 -0.189752D+01 -0.835136D-02 -0.164291D+00 -0.244162D+01
      2   0.379260D+00  0.230239D+01 -0.405511D-01  0.169431D+00  0.312282D+01
      3  -0.542451D+01  0.614361D+00 -0.523407D+01 -0.106203D+02  0.676990D-01
               241           242           243           244           245 
      1   0.234482D+01  0.100100D+01  0.185543D+00  0.165148D+00 -0.304595D+00
      2  -0.325710D+01  0.156359D+00 -0.629716D+00  0.574685D+00 -0.732461D+00
      3   0.154625D+01  0.606614D+00 -0.104379D+01  0.342198D+01 -0.249970D+01
               246           247           248           249           250 
      1   0.105324D+01 -0.298851D+00  0.466398D-02 -0.406398D+01 -0.224544D-01
      2   0.127070D+01 -0.700571D+00  0.263212D+01 -0.325349D+01 -0.190752D+01
      3   0.548546D+00 -0.149964D+01  0.209763D+02 -0.227057D+01  0.749839D+00
               251           252           253           254           255 
      1   0.192969D+01  0.288881D+00 -0.187208D+00  0.185944D+00 -0.120184D+00
      2   0.125015D+00  0.246236D+00 -0.108183D+02 -0.285899D+01  0.344045D+01
      3  -0.231765D+01  0.181566D-01 -0.406102D+01 -0.255198D+01  0.255223D+01
               256           257           258           259           260 
      1   0.107423D+01  0.711890D+00 -0.254659D+01 -0.265533D+01  0.103031D+01
      2  -0.670098D+01 -0.939769D+01  0.159518D+02  0.162654D+02  0.151567D+02
      3  -0.101925D+02 -0.158903D+02  0.990835D+01  0.790393D+01  0.127741D+02
               261           262           263           264           265 
      1   0.422321D+01  0.981267D+00 -0.333578D-01  0.656937D+00 -0.106437D+00
      2  -0.332078D+02  0.722679D+01  0.172596D+00 -0.246256D+00  0.533178D+01
      3  -0.158321D+02 -0.416646D+01 -0.884865D+00 -0.114476D+00 -0.113631D+02
               266           267           268           269           270 
      1   0.123750D+01 -0.220915D+01 -0.116441D+01  0.181809D+01 -0.236926D+01
      2   0.132785D+02  0.189257D+02  0.117554D+02  0.168513D+02  0.256725D+02
      3  -0.241094D+02 -0.152333D+02 -0.658570D+01 -0.158594D+02 -0.183296D+02
               271           272           273           274           275 
      1  -0.108953D+01  0.819853D+00  0.382656D+00  0.811097D+00 -0.770665D+00
      2   0.386624D+01 -0.131744D+01  0.908206D+01 -0.198918D+01  0.174512D+01
      3   0.228280D+02 -0.138153D+02  0.247387D+01 -0.171171D+02  0.143015D+02
               276           277           278           279 
      1  -0.972932D+00 -0.869373D+00  0.529471D+00  0.691443D-01
      2  -0.333486D+01  0.924176D+01 -0.104557D+00  0.200910D+01
      3  -0.262087D+01  0.287298D+01 -0.268712D+01  0.169666D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.932733D+02 -0.416041D+02 -0.701546D+00  0.940705D+02 -0.843097D+01
      2   0.487586D+02  0.246834D+02  0.563943D+00 -0.428342D+02  0.120833D+02
      3   0.445146D+02  0.169207D+02  0.137603D+00 -0.512362D+02 -0.365229D+01
      4  -0.328223D+02  0.623487D+01 -0.280735D+01 -0.284095D+01  0.105563D+02
      5   0.323337D+01 -0.259137D+01 -0.104922D+01 -0.491898D+01 -0.357292D+01
      6  -0.921472D-01  0.115397D+01 -0.612596D+00 -0.402551D+01 -0.312097D+01
                 6             7             8             9            10 
      1   0.638510D+01 -0.181269D+02 -0.348093D+01 -0.118648D+02  0.618445D+02
      2  -0.444389D+01  0.799147D+01  0.183461D+01  0.196305D-01 -0.161547D+02
      3  -0.194121D+01  0.101354D+02  0.164633D+01  0.118451D+02 -0.456898D+02
      4  -0.158679D+01 -0.218964D+01 -0.759438D+00  0.726175D-01 -0.314743D+01
      5  -0.109515D+01  0.215800D+01  0.165291D+01 -0.155142D+01  0.162682D+01
      6  -0.358337D+00 -0.294280D+01  0.449103D+01  0.211891D+00 -0.579033D+01
                11            12            13            14            15 
      1  -0.152348D+02  0.791173D+01 -0.115062D+03 -0.226635D+02 -0.643144D+01
      2   0.118927D+02 -0.257508D+01  0.519346D+02  0.200531D+02  0.114583D+01
      3   0.334211D+01 -0.533665D+01  0.631277D+02  0.261036D+01  0.528562D+01
      4   0.871340D+00 -0.119348D+01 -0.189652D+02 -0.145565D+02  0.509363D+00
      5  -0.372743D+01 -0.965967D+01  0.643335D+01  0.251552D+01  0.957663D+00
      6  -0.106403D+01 -0.313840D+00  0.285942D+01  0.504258D+00 -0.235446D+01
                16            17            18            19            20 
      1   0.184146D+02  0.303616D+00 -0.802334D+01  0.655145D+02  0.444064D+02
      2  -0.692089D+01 -0.730653D+00 -0.138128D+01 -0.308373D+02 -0.285545D+02
      3  -0.114937D+02  0.427037D+00  0.940463D+01 -0.346772D+02 -0.158518D+02
      4   0.209195D+01  0.820754D+00 -0.253261D+01  0.339891D+02 -0.115700D+02
      5  -0.125345D+01 -0.223175D+01 -0.230998D+01 -0.801194D+01  0.196480D+01
      6  -0.212809D+01  0.400404D+01  0.138733D+01 -0.214824D+01 -0.493138D+01
                21            22            23            24            25 
      1   0.313801D+01 -0.129464D+02  0.196696D+02 -0.156007D+01  0.816080D+01
      2  -0.227717D+00  0.194977D+02 -0.253193D+02  0.492304D+01 -0.489007D+01
      3  -0.291029D+01 -0.655133D+01  0.564973D+01 -0.336297D+01 -0.327073D+01
      4   0.306223D+01  0.139838D+02  0.204392D+01 -0.140162D+01  0.355587D+01
      5  -0.511621D+01 -0.270727D+01 -0.269368D+01 -0.723677D+01  0.928774D+01
      6   0.115879D+01 -0.414694D+01  0.422806D+01  0.585761D+01 -0.114334D+01
                26            27            28            29            30 
      1   0.456013D+01 -0.126373D+02 -0.321260D+00 -0.193319D+01 -0.345533D+01
      2   0.291345D+01 -0.163097D+01 -0.183994D+02  0.179100D+01 -0.234299D+00
      3  -0.747358D+01  0.142683D+02  0.187207D+02  0.142191D+00  0.368963D+01
      4  -0.332231D+01 -0.490651D+01 -0.167559D+02  0.113237D+02 -0.648919D+00
      5  -0.826722D+01 -0.585204D-01  0.113180D+02  0.192229D+01  0.983282D+01
      6   0.123682D+02 -0.273384D+01  0.567173D+01  0.241877D+01 -0.214722D+01
                31            32            33            34            35 
      1  -0.483192D+02 -0.590333D+02  0.483998D+01  0.252473D+00  0.420839D+01
      2   0.391611D+02  0.519357D+02 -0.605807D+01 -0.541127D+01 -0.512596D+01
      3   0.915814D+01  0.709757D+01  0.121809D+01  0.515880D+01  0.917570D+00
      4  -0.304884D+02  0.465689D+01 -0.182677D+01  0.476528D+01  0.473381D-02
      5   0.547407D+01 -0.164181D+01  0.351426D+01  0.302642D+02  0.409753D+01
      6  -0.463187D+01  0.134358D+01 -0.420473D+01 -0.382685D+01  0.280532D+01
                36            37            38            39            40 
      1  -0.114189D+01 -0.190873D+02 -0.569222D+02  0.205746D+01  0.402933D+02
      2  -0.943686D+01  0.951154D+01  0.430264D+02 -0.153233D+01 -0.403760D+02
      3   0.105788D+02  0.957579D+01  0.138958D+02 -0.525127D+00  0.826929D-01
      4  -0.149154D+01 -0.118278D+02 -0.159806D+01 -0.101707D+01  0.888016D+01
      5   0.870782D+00  0.132391D+01 -0.392222D+01  0.827455D+01  0.376942D+01
      6   0.178252D+01 -0.347570D+01  0.324116D+01  0.105451D+02  0.827048D+01
                41            42            43            44            45 
      1   0.367222D+02 -0.389888D+01 -0.896919D+01 -0.116987D+02 -0.940680D+01
      2  -0.335699D+02  0.117875D+01  0.747180D+01  0.817111D+01 -0.137407D+01
      3  -0.315226D+01  0.272012D+01  0.149738D+01  0.352763D+01  0.107809D+02
      4  -0.173741D+02  0.384966D+01 -0.224082D+01  0.250373D+01  0.794632D+01
      5   0.540193D+01  0.491143D+01  0.172089D+02  0.475080D+01  0.583452D+00
      6  -0.103260D+01  0.127386D+01  0.181759D+02  0.775951D+01  0.519073D+01
                46            47            48            49            50 
      1   0.324883D+02  0.435814D+02  0.165643D+01 -0.821386D+01  0.410320D+01
      2  -0.245254D+02 -0.335693D+02 -0.598994D+00  0.564367D+01 -0.152505D+02
      3  -0.796291D+01 -0.100121D+02 -0.105743D+01  0.257019D+01  0.111473D+02
      4   0.578163D+01 -0.874703D+01  0.148461D+01  0.914472D+01  0.841592D+01
      5  -0.467194D+01  0.403213D+01 -0.230041D+01 -0.311422D+00 -0.403204D+00
      6   0.392631D+01 -0.567701D+01 -0.741746D+01 -0.287315D+00  0.734799D+01
                51            52            53            54            55 
      1  -0.436210D+01  0.589857D+01 -0.125123D+01 -0.216814D+02  0.207032D+02
      2   0.460966D+01 -0.479477D+01  0.411726D+01  0.100045D+02 -0.181774D+02
      3  -0.247561D+00 -0.110380D+01 -0.286603D+01  0.116769D+02 -0.252581D+01
      4  -0.109610D+01  0.104652D+00 -0.393873D+01 -0.135115D+01  0.251584D+02
      5   0.240459D+00  0.409350D+01  0.140022D+01 -0.247095D+01  0.250310D+01
      6   0.920600D+01 -0.348347D+01  0.223339D+02 -0.228673D+01  0.322204D+01
                56            57            58            59            60 
      1   0.539170D+02 -0.138606D+01  0.766653D+01  0.221842D+02 -0.469576D+01
      2  -0.357377D+02 -0.590587D+00 -0.191469D+01 -0.239391D+02  0.588241D+01
      3  -0.181793D+02  0.197665D+01 -0.575183D+01  0.175483D+01 -0.118666D+01
      4  -0.414533D+02  0.440428D+01  0.276567D+02  0.137774D+02  0.181636D+01
      5   0.579878D+01 -0.132955D+02 -0.319584D+01  0.113472D+01  0.610618D+01
      6  -0.191603D+01 -0.845333D+01 -0.324286D+00  0.628972D+01  0.860512D+01
                61            62            63            64            65 
      1   0.248759D+01 -0.136171D+01 -0.207844D+02 -0.112191D+01  0.274146D+01
      2  -0.172445D+01  0.651185D+01  0.722338D+01  0.404325D+01 -0.394497D+01
      3  -0.763143D+00 -0.515014D+01  0.135610D+02 -0.292134D+01  0.120350D+01
      4  -0.224659D+01 -0.374518D+01  0.142120D+02 -0.517566D+01  0.987422D+01
      5   0.136425D+01  0.162826D+02 -0.802387D+01  0.112479D+01 -0.178760D+01
      6   0.180572D+01  0.209642D+02 -0.467287D+01 -0.195871D+01  0.173318D+01
                66            67            68            69            70 
      1  -0.497642D+00  0.772510D+01 -0.322321D+02  0.480961D+01 -0.181093D+00
      2   0.280340D+00 -0.103479D+02  0.389923D+02 -0.367467D+01  0.389480D+00
      3   0.217302D+00  0.262284D+01 -0.676017D+01 -0.113494D+01 -0.208386D+00
      4  -0.139573D+01  0.103368D+02 -0.186230D+02  0.235523D+01 -0.165271D+01
      5   0.152896D+01 -0.173496D+01  0.154134D+01 -0.231192D+01  0.266797D+00
      6  -0.121406D+01  0.292092D+01 -0.963390D+01  0.703324D+01 -0.190207D+01
                71            72            73            74            75 
      1   0.333506D+01 -0.380705D+01  0.114744D+02 -0.719128D+00  0.441159D+00
      2  -0.363869D+01  0.387664D+01 -0.269249D+00  0.789489D+01 -0.743972D+00
      3   0.303636D+00 -0.695861D-01 -0.112052D+02 -0.717576D+01  0.302814D+00
      4   0.282833D+01 -0.922480D+00  0.258680D+02  0.193354D+02 -0.310166D-01
      5  -0.348795D-02  0.668385D+00  0.316744D+01  0.196319D+00  0.504009D+01
      6   0.360453D+01 -0.198455D+01  0.172646D+01  0.924655D+00  0.276420D+01
                76            77            78            79            80 
      1  -0.377996D+01 -0.865561D+01 -0.217655D+00  0.190440D+01  0.484135D+00
      2   0.134198D+02  0.184707D+02 -0.363059D-02 -0.222292D+01 -0.937894D+00
      3  -0.963982D+01 -0.981510D+01  0.221286D+00  0.318517D+00  0.453759D+00
      4   0.257767D+02  0.255853D+02 -0.305129D+00 -0.121634D+01 -0.130756D+01
      5  -0.318843D+00  0.921380D-01  0.326785D+01  0.845062D+00  0.194931D+01
      6   0.847606D+00  0.145801D+01  0.424954D+01 -0.827904D+00  0.235851D+01
                81            82            83            84            85 
      1   0.642936D+00 -0.422032D+01  0.686019D+01 -0.132622D+01  0.350898D+01
      2   0.477826D+00  0.658377D+01 -0.924158D+01  0.120624D+01 -0.405550D+01
      3  -0.112076D+01 -0.236345D+01  0.238139D+01  0.119978D+00  0.546523D+00
      4   0.229659D+01 -0.285856D+01  0.110860D+02 -0.941776D+00  0.645316D+01
      5  -0.269881D+00 -0.294795D+00 -0.538797D-01  0.160514D+01 -0.180700D+00
      6  -0.483808D+00 -0.547206D+00  0.133358D+01 -0.151844D+01  0.155357D+00
                86            87            88            89            90 
      1  -0.529939D+02  0.528117D+01 -0.129627D+01  0.659397D+01 -0.260991D+01
      2   0.706372D+02 -0.587351D+01  0.131388D+01 -0.789251D+01  0.322731D+01
      3  -0.176433D+02  0.592344D+00 -0.176173D-01  0.129854D+01 -0.617403D+00
      4  -0.857834D+01  0.548439D+00 -0.814906D+00  0.152127D+01 -0.166438D+01
      5  -0.185423D+01 -0.360081D+00  0.693144D+00 -0.116199D+01  0.476466D+00
      6  -0.449617D+01  0.780137D+01  0.491071D+00  0.334608D+01 -0.175739D+01
                91            92            93            94            95 
      1  -0.990150D+01 -0.663040D+01  0.102787D+02 -0.979782D+01  0.145009D+02
      2   0.178032D+02  0.656165D+01  0.958555D+00  0.124153D+02 -0.200758D+02
      3  -0.790169D+01  0.687514D-01 -0.112373D+02 -0.261743D+01  0.557489D+01
      4  -0.373283D+01  0.116838D+01 -0.438204D+01 -0.357243D+01  0.403303D+02
      5  -0.547072D+00 -0.593669D+01 -0.261822D+02 -0.200973D+02 -0.496561D+01
      6  -0.577928D+01 -0.207481D+01 -0.758057D+00 -0.278694D+00  0.975471D+01
                96            97            98            99           100 
      1  -0.112273D+02  0.372844D+01 -0.535641D+01 -0.258525D+02 -0.627668D+02
      2   0.135796D+02  0.521913D+01  0.544615D+01  0.192353D+02  0.346823D+02
      3  -0.235231D+01 -0.894756D+01 -0.897339D-01  0.661721D+01  0.280845D+02
      4  -0.478687D+01 -0.970443D+01 -0.474851D+01 -0.483849D+01  0.278309D+02
      5  -0.688089D+01 -0.597689D+02 -0.767066D+01 -0.274317D+01 -0.336513D+02
      6  -0.115614D+01 -0.310211D+00 -0.776044D+00 -0.480825D+01  0.133863D+02
               101           102           103           104           105 
      1   0.203451D+02 -0.328298D+02  0.361731D+02  0.651382D+00 -0.378110D+00
      2  -0.107680D+02  0.110748D+01 -0.267588D+02 -0.748285D+01 -0.115422D+02
      3  -0.957711D+01  0.317223D+02 -0.941435D+01  0.683146D+01  0.119203D+02
      4  -0.173659D+01  0.395009D+01 -0.474514D+01 -0.419491D+02 -0.160840D+01
      5   0.937598D+01  0.204061D+02  0.244466D+02 -0.498682D+00  0.199872D+02
      6  -0.270703D+00  0.554898D+00 -0.314824D+00 -0.182213D+02 -0.107745D+00
               106           107           108           109           110 
      1  -0.706854D+01 -0.329220D+01  0.394148D+02 -0.949606D+02 -0.138403D+02
      2  -0.136766D+02 -0.532192D+01 -0.115534D+02  0.418689D+02  0.248752D+01
      3   0.207452D+02  0.861412D+01 -0.278614D+02  0.530916D+02  0.113528D+02
      4   0.588216D+01  0.175205D+01  0.159063D+02 -0.205226D+02 -0.165554D+02
      5   0.411769D+02  0.154400D+02  0.120523D+02  0.158779D+02  0.690581D+01
      6   0.388529D+01  0.144602D+01  0.120036D+02  0.644533D+01  0.237324D+01
               111           112           113           114           115 
      1   0.616994D+01 -0.232011D+02 -0.106206D+02  0.584632D+01 -0.197335D+02
      2  -0.299905D+01  0.596865D+01  0.109239D+02 -0.296248D+01  0.148369D+02
      3  -0.317089D+01  0.172324D+02 -0.303300D+00 -0.288384D+01  0.489663D+01
      4   0.454497D+01  0.167748D+01 -0.169845D+02  0.951185D-01  0.616928D+01
      5  -0.220380D+01  0.130770D+02  0.175632D+01 -0.154359D+01  0.237235D+02
      6  -0.296773D+01  0.256784D+01  0.111318D+01  0.832163D+00  0.910785D+00
               116           117           118           119           120 
      1   0.524905D+01  0.225635D+02 -0.717363D+01 -0.674486D+01 -0.653456D+00
      2  -0.236276D+01 -0.572200D+01  0.887487D+01  0.269606D+01  0.367867D+00
      3  -0.288629D+01 -0.168415D+02 -0.170124D+01  0.404880D+01  0.285589D+00
      4  -0.239395D+01  0.200890D+01 -0.946297D+01  0.772801D+01 -0.686332D+00
      5   0.289083D+01 -0.976490D+01  0.124541D+00 -0.119726D+01  0.687852D+01
      6  -0.408160D+01 -0.273442D+01 -0.248137D+01  0.833088D+00 -0.266152D+00
               121           122           123           124           125 
      1  -0.853222D+01 -0.180934D+02  0.519880D+01 -0.161328D+01  0.217521D+01
      2  -0.980331D-01  0.307197D+02 -0.419135D+01  0.125717D+01 -0.731194D+00
      3   0.863025D+01 -0.126263D+02 -0.100744D+01  0.356112D+00 -0.144402D+01
      4   0.165096D+02 -0.479401D+02  0.543926D+01 -0.620123D+00  0.467839D+01
      5  -0.106521D+01  0.519058D+01 -0.109115D+02  0.959175D+01 -0.610344D+01
      6   0.222731D+01 -0.109607D+02  0.631252D+01 -0.190160D+01  0.664824D+01
               126           127           128           129           130 
      1  -0.340608D+00  0.106612D+03 -0.142047D+02  0.205080D+02 -0.253816D+02
      2   0.408061D+00 -0.637103D+02  0.725487D+01 -0.172221D+02  0.146286D+02
      3  -0.674532D-01 -0.429019D+02  0.694980D+01 -0.328587D+01  0.107530D+02
      4  -0.650548D+01 -0.207140D+02  0.158207D+02 -0.401056D+01  0.210757D+02
      5   0.441545D+01  0.605117D+02 -0.694757D+01  0.279779D+02 -0.175519D+02
      6  -0.234629D+01 -0.824633D+01  0.630689D+01 -0.196358D+01  0.782214D+01
               131           132           133           134           135 
      1   0.119049D+02 -0.378719D+01  0.100758D+02 -0.513310D+00  0.769734D+01
      2  -0.454412D+01  0.537854D+01 -0.962923D+01  0.192269D+01 -0.829446D+01
      3  -0.736081D+01 -0.159135D+01 -0.446567D+00 -0.140938D+01  0.597121D+00
      4  -0.570349D+01  0.492696D+01 -0.275589D+01  0.166848D+01 -0.524430D+01
      5   0.737173D+01 -0.109951D+02  0.189720D+02 -0.525939D+01  0.920327D+01
      6  -0.203596D+01  0.327534D+01 -0.248962D+01  0.153669D+01 -0.235325D+01
               136           137           138           139           140 
      1  -0.753712D+01 -0.513972D+01  0.244986D+02 -0.697989D+01 -0.764502D+01
      2  -0.851570D+00  0.163116D+01  0.179293D+01  0.448209D+01  0.144018D+01
      3   0.838869D+01  0.350856D+01 -0.262916D+02  0.249780D+01  0.620485D+01
      4  -0.399506D+01 -0.301072D+01  0.130723D+01  0.136853D+01 -0.369323D+00
      5   0.174806D+01 -0.102088D+01 -0.121114D+02 -0.486630D+01  0.575435D+01
      6  -0.277663D+01 -0.374016D+01  0.241335D+01 -0.297334D+00 -0.267348D+01
               141           142           143           144           145 
      1   0.792960D+01  0.111350D+02  0.470824D+01 -0.425744D+02  0.920246D+01
      2   0.302050D+01 -0.326774D+01  0.155747D+01 -0.146040D+02 -0.235451D+01
      3  -0.109501D+02 -0.786721D+01 -0.626570D+01  0.571784D+02 -0.684795D+01
      4   0.783424D+01 -0.137809D+00  0.659445D+01 -0.788094D+01  0.710153D+01
      5  -0.115220D+02  0.450886D+01 -0.539131D+01  0.414558D+02  0.417494D+01
      6   0.942842D+01 -0.151084D+00  0.736429D+01 -0.765104D+01  0.234232D+01
               146           147           148           149           150 
      1   0.606396D+01  0.418848D+01  0.120548D+02 -0.477170D+01 -0.138237D+01
      2  -0.242526D+01 -0.218669D+00 -0.620713D+01  0.146837D+02 -0.276461D+01
      3  -0.363870D+01 -0.396981D+01 -0.584768D+01 -0.991199D+01  0.414698D+01
      4   0.731719D+01  0.875402D+00  0.150847D+02  0.529172D+02  0.909435D+01
      5   0.260537D+01 -0.519822D+00  0.114451D+02  0.937268D+01  0.135362D+02
      6   0.194731D+01  0.249508D+00  0.563752D+01  0.252964D+02  0.826402D+01
               151           152           153           154           155 
      1  -0.126869D+01 -0.144714D+01 -0.590366D+01  0.199441D+03  0.224922D+02
      2   0.208749D+01 -0.117703D+01  0.200943D+01 -0.955386D+02 -0.867288D+01
      3  -0.818796D+00  0.262417D+01  0.389423D+01 -0.103903D+03 -0.138193D+02
      4   0.890381D+00  0.795388D+00  0.499248D+01  0.224982D+02  0.343143D+02
      5  -0.126139D+01  0.508522D+01  0.636451D-01 -0.371765D+02 -0.430892D+01
      6   0.105971D+01  0.490719D+01  0.224753D+01 -0.488898D+01 -0.546961D+01
               156           157           158           159           160 
      1  -0.898178D+01  0.317431D+02  0.339967D+02 -0.190086D+01 -0.120004D+02
      2   0.919114D+01 -0.136690D+02 -0.127673D+02  0.203587D+01  0.109576D+02
      3  -0.209355D+00 -0.180741D+02 -0.212294D+02 -0.135013D+00  0.104280D+01
      4  -0.145019D+01  0.474988D+02  0.250428D+02 -0.406310D+01 -0.344051D+01
      5   0.355337D+02 -0.867385D+01 -0.850006D+01  0.898425D+01  0.384966D+02
      6  -0.292871D+00 -0.938414D+01 -0.496580D+01  0.504082D+01  0.207137D+01
               161           162           163           164           165 
      1  -0.182704D+01  0.225481D+02  0.453455D+02  0.378182D+01 -0.162227D+02
      2   0.147647D+01 -0.158691D+02 -0.325937D+02 -0.141295D+01  0.966489D+01
      3   0.350569D+00 -0.667904D+01 -0.127518D+02 -0.236887D+01  0.655785D+01
      4  -0.187496D+01  0.530424D+01 -0.121077D+01  0.730950D+01  0.334595D+01
      5   0.710604D+01 -0.767847D+01 -0.329207D+02  0.125872D+01  0.175361D+02
      6   0.450617D+01 -0.181406D+01  0.299589D+00 -0.141334D+01 -0.672766D+00
               166           167           168           169           170 
      1   0.121411D+02 -0.900271D+01 -0.340533D+01  0.965156D+00 -0.284852D+01
      2  -0.617688D+01  0.331798D+01  0.239461D+01  0.214362D+01  0.536685D+00
      3  -0.596423D+01  0.568473D+01  0.101072D+01 -0.310877D+01  0.231183D+01
      4   0.328023D+01 -0.493789D+01 -0.115346D+02  0.454239D+01 -0.554064D+01
      5  -0.397246D+01 -0.109043D+02 -0.818906D+00  0.151634D+02 -0.652294D+01
      6  -0.845958D+00  0.458697D+01  0.120007D+02 -0.355294D+01  0.115805D+02
               171           172           173           174           175 
      1  -0.325550D+02 -0.469864D+02 -0.543435D+01 -0.501692D+01 -0.928159D+01
      2  -0.113036D+02  0.296922D+02  0.283007D+01 -0.442812D+01  0.562196D+01
      3   0.438586D+02  0.172942D+02  0.260428D+01  0.944504D+01  0.365963D+01
      4  -0.794542D+01  0.176816D+01 -0.433306D+01 -0.248736D+01  0.928812D+00
      5  -0.432424D+02  0.249810D+02 -0.105113D+01 -0.138280D+02  0.274681D+01
      6   0.951988D+01  0.536097D+00  0.378162D+01  0.332703D+01  0.474496D+00
               176           177           178           179           180 
      1  -0.560396D+01 -0.183481D+01  0.950185D+01 -0.457917D+00 -0.866843D+01
      2   0.398206D+01  0.630757D+00 -0.112648D+02  0.124508D+00  0.487917D+01
      3   0.162190D+01  0.120405D+01  0.176299D+01  0.333409D+00  0.378927D+01
      4  -0.208043D+01 -0.296545D+01 -0.156071D+01  0.520612D+00  0.775207D+00
      5  -0.209672D+01 -0.199610D+01 -0.117302D+02  0.404150D+00  0.374231D+01
      6   0.216762D+01  0.331433D+01  0.278328D+01  0.782453D+00  0.937599D-01
               181           182           183           184           185 
      1  -0.145904D+01 -0.539918D+02  0.319344D+01  0.916381D+02  0.270040D+02
      2   0.252476D+01  0.380157D+02  0.200641D+00 -0.651506D+02 -0.237934D+02
      3  -0.106572D+01  0.159761D+02 -0.339408D+01 -0.264876D+02 -0.321060D+01
      4  -0.183341D+02  0.435379D+02 -0.664644D+01  0.144847D+02 -0.398815D+02
      5  -0.526920D+01 -0.875263D+01  0.201432D+02  0.549771D+01  0.809551D+01
      6  -0.411941D+01 -0.234467D+01  0.117999D+02  0.638220D+01  0.284654D+01
               186           187           188           189           190 
      1   0.295017D+01 -0.139629D+02 -0.883519D+01  0.414718D+01  0.154090D+03
      2  -0.215544D+01  0.126587D+02  0.719860D+01 -0.926842D+01 -0.792991D+02
      3  -0.794732D+00  0.130412D+01  0.163658D+01  0.512123D+01 -0.747905D+02
      4   0.832418D+01 -0.250292D+01  0.107211D+02  0.160058D+02 -0.125390D+01
      5   0.979558D+01  0.315153D+02  0.148226D+02 -0.248335D+01 -0.208547D+01
      6   0.276751D+01  0.157361D+02  0.812586D+01  0.301305D+01 -0.102013D+01
               191           192           193           194           195 
      1   0.216528D+02  0.680458D+01 -0.499426D+02 -0.243211D+02  0.150094D+01
      2  -0.101828D+02 -0.272745D+01  0.436450D+02  0.294561D+02 -0.376085D+01
      3  -0.114700D+02 -0.407713D+01  0.629766D+01 -0.513506D+01  0.225991D+01
      4   0.358497D+02 -0.221111D+01 -0.167032D+02  0.610320D+02 -0.823110D+01
      5  -0.198817D+01  0.841276D+01  0.429931D+01 -0.799919D+01 -0.110376D+01
      6  -0.273957D+01 -0.507466D+01 -0.684607D+01 -0.395493D+01 -0.526906D+01
               196           197           198           199           200 
      1   0.988236D+01  0.671522D+01  0.249440D+02 -0.116770D+03 -0.163852D+01
      2  -0.788260D+01 -0.560422D+01 -0.225125D+02  0.454793D+02 -0.448760D+01
      3  -0.199976D+01 -0.111100D+01 -0.243148D+01  0.712905D+02  0.612611D+01
      4   0.777658D+01 -0.371699D+01 -0.131835D+01 -0.233849D+01 -0.346750D+02
      5   0.522096D+02  0.332675D+01  0.408705D+01 -0.198025D+01  0.802654D+01
      6  -0.203184D+01  0.459938D+01  0.161142D+01  0.677668D+01  0.230433D-01
               201           202           203           204           205 
      1  -0.685389D+01 -0.747596D+02 -0.473376D+01 -0.608578D+01 -0.724308D-01
      2   0.340214D+01  0.467950D+02 -0.114582D+02  0.569398D+01 -0.225695D+01
      3   0.345175D+01  0.279646D+02  0.161920D+02  0.391802D+00  0.232938D+01
      4   0.589909D+01  0.168736D+01 -0.181247D+02 -0.232473D+01  0.220743D+01
      5   0.183780D+01 -0.141736D+01 -0.295423D+01 -0.126950D+02  0.241034D+01
      6   0.127723D+01 -0.147084D+01  0.634527D+01  0.729922D+01 -0.182646D+01
               206           207           208           209           210 
      1   0.888476D+00 -0.213576D+02 -0.226332D+02 -0.309583D+02 -0.236436D+01
      2   0.358181D+01  0.265051D+01  0.100141D+02  0.157968D+02 -0.459487D+00
      3  -0.447029D+01  0.187070D+02  0.126192D+02  0.151615D+02  0.282385D+01
      4  -0.786994D+01 -0.222321D+02 -0.242846D+02  0.970678D+01 -0.593652D-01
      5  -0.245132D+02  0.409074D+01  0.234073D+01  0.253455D+00  0.269491D+02
      6   0.164136D+02 -0.109469D+01 -0.574257D-01  0.237894D+01  0.408777D+01
               211           212           213           214           215 
      1   0.877941D+01  0.115254D+02 -0.212827D+01 -0.459674D+01 -0.312448D+01
      2  -0.101374D+02 -0.277519D+01  0.178416D+01  0.126430D+01  0.252121D+01
      3   0.135802D+01 -0.875021D+01  0.344108D+00  0.333244D+01  0.603267D+00
      4   0.352877D+02 -0.197530D+02  0.476756D+01 -0.421438D+01  0.152102D+01
      5  -0.493127D+01  0.311922D+01  0.105341D+02  0.743522D+01 -0.524013D+01
      6   0.183577D+01 -0.483188D+00  0.752372D+01 -0.318259D+01  0.438611D+01
               216           217           218           219           220 
      1  -0.183510D+00 -0.459886D+02  0.529122D+02 -0.567095D+01  0.551586D+02
      2   0.110142D+01  0.259818D+02 -0.270206D+02  0.339898D+01 -0.245073D+02
      3  -0.917912D+00  0.200067D+02 -0.258917D+02  0.227198D+01 -0.306513D+02
      4  -0.619088D+01  0.528457D+02 -0.113227D+02  0.843673D+01 -0.404642D+02
      5   0.325044D+01 -0.675308D+01  0.871937D+01 -0.209006D+02  0.125043D+02
      6  -0.170563D+01  0.316306D+01 -0.401832D+00 -0.255250D+01 -0.287622D+01
               221           222           223           224           225 
      1  -0.160492D+02  0.162155D+02 -0.602590D+01  0.133413D+02 -0.115062D+02
      2   0.932292D+01 -0.696105D+01  0.196369D+01 -0.633999D+01  0.729488D+01
      3   0.672626D+01 -0.925442D+01  0.406221D+01 -0.700129D+01  0.421129D+01
      4  -0.211611D+02 -0.138092D+02  0.109840D+02 -0.970245D+01 -0.512022D+02
      5  -0.128585D+02 -0.771592D+02 -0.353609D+02 -0.524002D+02  0.164534D+02
      6  -0.390582D+01 -0.140315D+02 -0.102359D+02 -0.102829D+02 -0.124124D+01
               226           227           228           229           230 
      1  -0.437732D+01  0.125910D+02 -0.202107D+01  0.252699D+01 -0.512697D+02
      2   0.573641D+01 -0.113163D+02  0.137656D+01 -0.108536D+01  0.652214D+02
      3  -0.135909D+01 -0.127475D+01  0.644517D+00 -0.144163D+01 -0.139517D+02
      4   0.256909D+01  0.486983D+01  0.778228D-01  0.412219D+01  0.269857D+02
      5  -0.571654D+00  0.278414D+00  0.998417D+00 -0.257773D+00 -0.526390D+01
      6  -0.103590D+01  0.203563D+01 -0.153837D+01 -0.188083D+00 -0.988821D+01
               231           232           233           234           235 
      1   0.569152D+01 -0.916490D+00  0.670012D+01 -0.244016D+01  0.475829D+02
      2  -0.542188D+01  0.581704D+00 -0.722968D+01  0.300709D+01 -0.174154D+02
      3  -0.269644D+00  0.334786D+00  0.529552D+00 -0.566922D+00 -0.301675D+02
      4  -0.312427D+01  0.172392D+00 -0.283775D+01 -0.981028D+00  0.375670D+02
      5   0.295481D+01  0.153959D+01 -0.196313D+00  0.925084D-01 -0.861948D+00
      6   0.790552D+01 -0.112213D+00  0.360047D+01 -0.173179D+01  0.116776D+00
               236           237           238           239           240 
      1   0.164193D+02  0.147507D+01  0.229773D+02  0.114991D+02 -0.195935D+00
      2  -0.184830D+01 -0.683914D+00 -0.489370D+00  0.739801D+01  0.258324D+00
      3  -0.145710D+02 -0.791152D+00 -0.224879D+02 -0.188971D+02 -0.623894D-01
      4   0.271744D+02  0.690689D-01  0.408862D+02  0.387755D+02 -0.554667D+00
      5  -0.138313D+01  0.415855D+01 -0.312705D+01 -0.255088D+01  0.511141D+01
      6  -0.186853D+00  0.218901D+01 -0.124120D+01 -0.864941D+00  0.392055D+01
               241           242           243           244           245 
      1   0.167592D+01 -0.211409D+00 -0.777595D+00 -0.156036D+01 -0.545588D+01
      2  -0.171011D+01 -0.435943D+00  0.993654D+00  0.531963D+01 -0.149253D+01
      3   0.341935D-01  0.647352D+00 -0.216059D+00 -0.375927D+01  0.694841D+01
      4  -0.145416D+01 -0.151834D+01  0.206586D+01 -0.156266D+02  0.174166D+02
      5  -0.148493D+01  0.160827D+01 -0.595143D+00  0.128811D+01 -0.190600D+01
      6  -0.620601D+00  0.148350D+01 -0.423907D+00 -0.101946D+01  0.143730D+01
               246           247           248           249           250 
      1   0.138203D+00 -0.112839D+01 -0.205507D+02  0.242484D+01 -0.221394D+00
      2   0.212480D+00 -0.879273D+01  0.370347D+02 -0.308455D+01  0.804081D+00
      3  -0.350682D+00  0.992112D+01 -0.164841D+02  0.659707D+00 -0.582687D+00
      4  -0.268221D+01  0.245833D+02 -0.524919D+02  0.610326D+01 -0.361068D+01
      5   0.274283D+01 -0.206314D+01  0.360198D+01 -0.582434D+01  0.210917D+01
      6  -0.154372D+01  0.183062D+01 -0.523011D+01  0.691761D+01 -0.257790D+01
               251           252           253           254           255 
      1   0.143704D+01 -0.141745D+01  0.201628D+02  0.564434D+01 -0.178361D+02
      2  -0.323103D+01  0.296294D+01 -0.108602D+02 -0.259150D+01  0.887590D+01
      3   0.179398D+01 -0.154548D+01 -0.930257D+01 -0.305284D+01  0.896018D+01
      4   0.687357D+01 -0.186384D+01  0.686044D+01  0.560618D+01 -0.757362D+01
      5  -0.503152D+00  0.101837D+01 -0.210164D+02 -0.730698D+01  0.924877D+01
      6   0.303423D+01 -0.169822D+01 -0.310590D+01 -0.954876D+00  0.422836D+00
               256           257           258           259           260 
      1   0.186045D+02  0.112164D+02 -0.954638D+01 -0.491891D+02 -0.101840D+02
      2  -0.930761D+01 -0.351408D+01  0.384120D+01  0.284442D+02  0.498144D+01
      3  -0.929693D+01 -0.770231D+01  0.570518D+01  0.207449D+02  0.520255D+01
      4   0.258214D+02  0.252841D+02 -0.183126D+02 -0.200469D+02 -0.205956D+02
      5  -0.179846D+02 -0.189631D+02  0.316510D+02  0.434031D+02  0.287017D+02
      6  -0.341248D+01 -0.449632D+01  0.767795D+01  0.677832D+01  0.721910D+01
               261           262           263           264           265 
      1   0.165719D+02  0.698710D+01  0.623434D+01  0.146739D+02  0.211424D+02
      2  -0.155546D+02 -0.417824D+01 -0.303062D+01 -0.683122D+01 -0.110417D+02
      3  -0.101730D+01 -0.280886D+01 -0.320372D+01 -0.784271D+01 -0.101007D+02
      4   0.275101D+02  0.594088D+01  0.392127D+01  0.351227D+01  0.292371D+02
      5  -0.650946D+02  0.145791D+02  0.321360D+01  0.257602D+01  0.177668D+02
      6  -0.826165D+01  0.281152D+01  0.231874D+00 -0.407999D+00  0.641868D+01
               266           267           268           269           270 
      1   0.765793D+01  0.309751D+01  0.342636D+02  0.261123D+01  0.676954D+01
      2  -0.899860D+00 -0.226506D+01 -0.202331D+02 -0.250036D+01 -0.118732D+02
      3  -0.675807D+01 -0.832448D+00 -0.140306D+02 -0.110869D+00  0.510370D+01
      4   0.390707D+02  0.281916D+02  0.170516D+02  0.263256D+02  0.319734D+02
      5   0.276174D+02  0.378672D+02  0.346822D+02  0.322802D+02  0.498882D+02
      6   0.102678D+02  0.111456D+02  0.785660D+01  0.102952D+02  0.115914D+02
               271           272           273           274           275 
      1   0.170454D+03 -0.398110D+02  0.141998D+02 -0.785677D+02  0.308288D+02
      2  -0.875916D+02  0.200450D+02 -0.828491D+01  0.391173D+02 -0.138706D+02
      3  -0.828620D+02  0.197660D+02 -0.591490D+01  0.394504D+02 -0.169582D+02
      4  -0.471802D+02  0.243452D+02 -0.448252D+01  0.408366D+02 -0.294297D+02
      5   0.175254D+02 -0.440706D+01  0.182502D+02 -0.808414D+01  0.515555D+01
      6  -0.188107D+01  0.103063D+01 -0.107431D+01  0.195816D+01 -0.132292D+01
               276           277           278           279 
      1  -0.664121D+01  0.191385D+02 -0.492940D+01  0.183915D+02
      2   0.382287D+01 -0.112575D+02  0.285608D+01 -0.108364D+02
      3   0.281833D+01 -0.788094D+01  0.207331D+01 -0.755508D+01
      4   0.531271D+01 -0.578442D+01  0.474291D+01 -0.199809D+01
      5  -0.696524D+01  0.265638D+02 -0.179874D+01  0.551074D+01
      6   0.259388D+01 -0.177144D+01  0.298584D+01 -0.606747D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x         -0.230125D+01     -0.584919D+01     -0.195108D+02
   y         -0.769776D+00     -0.195658D+01     -0.652643D+01
   z          0.694496D+00      0.176523D+01      0.588819D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.285439D+03      0.422977D+02      0.470626D+02
   yx         0.118832D+02      0.176091D+01      0.195927D+01
   yy         0.155815D+03      0.230894D+02      0.256904D+02
   zx         0.111858D+02      0.165757D+01      0.184430D+01
   zy        -0.358322D+01     -0.530979D+00     -0.590794D+00
   zz         0.112258D+03      0.166350D+02      0.185089D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.200466D+03      0.297060D+02      0.330523D+02
   aniso      0.170762D+03      0.253044D+02      0.281549D+02
   xx         0.308823D+03      0.457629D+02      0.509180D+02
   yx         0.145352D+02      0.215390D+01      0.239653D+01
   yy         0.169810D+03      0.251632D+02      0.279978D+02
   zx         0.116367D+02      0.172439D+01      0.191864D+01
   zy        -0.373733D+01     -0.553815D+00     -0.616203D+00
   zz         0.122765D+03      0.181918D+02      0.202412D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.18474142         -0.64475023          1.73320729
     6         -0.89168385          1.80444316          1.39979716
     6          1.49703414         -1.78039585         -0.30401038
     6          1.76851855         -0.58177663         -2.58842635
     6          0.68214417          1.85281580         -2.90393461
     6         -0.60032492          3.00314937         -0.98211435
     6         -0.10164506         -1.84112192          4.09613034
     1          2.31690892         -3.63800916         -0.02324774
     1          0.86537182          2.79977219         -4.70865811
     1         -1.42189573          4.85698977         -1.25846649
     6          3.16471701         -1.81286822         -4.75873138
     6          5.47891994         -0.31809767         -5.62567105
     6          1.40379000         -2.39058838         -6.99041565
     1          3.79704348         -3.67520229         -4.10902174
     1          6.43428411         -1.29910205         -7.15995577
     1          6.78732661         -0.07662059         -4.05319479
     1          4.94146559          1.54635404         -6.31559915
     8          1.99870356         -2.21016006         -9.16669750
     8         -0.92231797         -3.24010679         -6.35189942
     1         -1.14704378         -3.11196919         -4.53815731
     6         -1.38137764         -0.70191089          6.04316764
     6         -2.44604284          1.72421561          5.70120588
     6         -2.19755682          2.94369699          3.41382433
     8         -3.73912645          2.97414797          7.53607968
     6         -4.05026501          1.80456196          9.92703246
     1          0.71002919         -3.70004532          4.37110321
     1         -1.56519707         -1.67205958          7.82825949
     1         -3.02459546          4.80010339          3.18624727
     1         -2.22952832          1.44384175         10.83590013
     1         -5.10323373          0.03301542          9.77182786
     1         -5.12482964          3.13365078         11.06673948

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252401D+01      0.641539D+01      0.213994D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.142035D+03      0.210475D+02      0.234185D+02
   yx        -0.213779D+02     -0.316788D+01     -0.352474D+01
   yy         0.149609D+03      0.221697D+02      0.246672D+02
   zx        -0.579816D+02     -0.859199D+01     -0.955988D+01
   zy         0.850039D+01      0.125963D+01      0.140153D+01
   zz         0.261868D+03      0.388049D+02      0.431763D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.200466D+03      0.297060D+02      0.330523D+02
   aniso      0.170762D+03      0.253044D+02      0.281549D+02
   xx         0.154213D+03      0.228520D+02      0.254263D+02
   yx        -0.222405D+02     -0.329570D+01     -0.366696D+01
   yy         0.162506D+03      0.240809D+02      0.267936D+02
   zx        -0.618704D+02     -0.916825D+01     -0.102011D+02
   zy         0.783170D+01      0.116054D+01      0.129127D+01
   zz         0.284678D+03      0.421850D+02      0.469371D+02

 ----------------------------------------------------------------------
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 Children are likely to live up to what you believe of them.
 -- Lady Bird Johnson
 Job cpu time:       1 days 20 hours 57 minutes 38.9 seconds.
 Elapsed time:       0 days  5 hours 37 minutes 34.6 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 02:55:30 2021.
